![4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium structure](/static/products/1012/101233-99-2.webp)
4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium
TL;DR: 4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium (CAS 101233-99-2) is a chemical compound with molecular formula C24H24N6O7S3 and molecular weight 604.08685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-[(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: 4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium, 4-[[[(7R)-7beta-[[(Z)-(2-Aminothiazol-4-yl)[(carboxymethoxy)imino]acetyl]amino]-4-carboxylatocepham-3-en-3-yl]methyl]thio]-6,7-dihydro-1-methyl-5H-1-pyrindin-1-ium, 5H-Cyclopenta[b]pyridinium, 4-[[[7-[[(2-amino-4-thiazolyl)[(carboxymethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-6,7-dihydro-1-methyl-, inner salt, [6R-[6I+/-,7I(2)(Z)]]
Technical Specifications
| Molecular Formula | C24H24N6O7S3 |
| Molecular Weight | 604.08685 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 270.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 604.08685 Da |
| Heavy Atoms | 40 |
| Complexity | 1120.0 |
| SMILES | C[N+]1=C2CCCC2=C(C=C1)SCC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OCC(=O)O)/C5=CSC(=N5)N)SC3)C(=O)[O-] |
| InChIKey | KAYODKQGOPMBKS-QUJFDNLYSA-N |
Chemical Property Profile of 4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium
Property Insights of 4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium. The TPSA of 270.0 Ų indicates high polarity, suggesting 4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium?
The CAS number of 4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium is 101233-99-2.
What is the molecular formula of 4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium?
The molecular formula of 4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium is C24H24N6O7S3.
What is the molecular weight of 4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium?
The molecular weight of 4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium is 604.08685 g/mol.
Where can I buy 4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium?
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Yes, CoreyChem provides custom synthesis services for 4-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methyl-5H,6H,7H-cyclopenta[b]pyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.