5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-
TL;DR: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- (CAS 108376-04-1) is a chemical compound with molecular formula C26H21N7O8S4 and molecular weight 687.03345 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridine-2-carbonyl)amino]acetyl]amino]-3-(1,3-benzothiazol-2-ylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-, (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridine-2-carbonyl)amino]acetyl]amino]-3-(1,3-benzothiazol-2-ylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Technical Specifications
| Molecular Formula | C26H21N7O8S4 |
| Molecular Weight | 687.03345 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 335.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 687.03345 Da |
| Heavy Atoms | 45 |
| Complexity | 1390.0 |
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CSC(=N3)N)NC(=O)C4=CC(=O)C(=CN4O)O)C(=O)O)CSC5=NC6=CC=CC=C6S5 |
| InChIKey | GEGLADNHJIOIKI-ZAZMHIJSSA-N |
Product Description
Applications: AC1MI9YO is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, AC1MI9YO (CAS 108376-04-1) has the molecular formula C26H21N7O8S4 and a molecular weight of 687.03 g/mol. Synonyms include 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- and (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridine-2-carbonyl)amino]acetyl]amino]-3-(1,3-benzothiazol-2-ylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-
Property Insights of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-. The TPSA of 335.0 Ų indicates high polarity, suggesting 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-?
The CAS number of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- is 108376-04-1.
What is the molecular formula of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-?
The molecular formula of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- is C26H21N7O8S4.
What is the molecular weight of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-?
The molecular weight of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- is 687.03345 g/mol.
What are the applications of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-?
AC1MI9YO is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-?
You can request a quote for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-?
Yes, CoreyChem provides custom synthesis services for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-((2-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.