RefChem:128672
TL;DR: RefChem:128672 (CAS 134102-27-5) is a chemical compound with molecular formula C20H24N6O10S4 and molecular weight 636.0437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrogen sulfate
Also Known As: CS 461, (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrogen sulfate, Thiazolium, 3-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-5-(2-hydroxyethyl)-4-methyl-, (6R-(6-alpha,7-beta(Z)))-, sulfate (1:1) (salt), Thiazolium, 3-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-en-3-yl)methyl)-5-(2-hydroxyethyl)-4-methyl-, (6R-(6alpha,7beta(Z)))-, sulfate (1:1) (salt), (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,hydrogen sulfate
Technical Specifications
| Molecular Formula | C20H24N6O10S4 |
| Molecular Weight | 636.0437 g/mol |
| XLogP | -1.28858 |
| Topological Polar Surface Area (TPSA) | 339.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 636.0437 Da |
| Heavy Atoms | 40 |
| Complexity | 1010.0 |
| SMILES | CC1=C(SC=[N+]1CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)N)SC2)C(=O)O)CCO.OS(=O)(=O)[O-] |
| InChIKey | WNNXOUAREUXOEN-CZFAVYDOSA-N |
Chemical Property Profile of RefChem:128672
Property Insights of RefChem:128672
The XLogP value of -1.28858 indicates that RefChem:128672 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 339.0 Ų indicates high polarity, suggesting RefChem:128672 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:128672 has 5 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 RefChem:128672?
The CAS number of RefChem:128672 is 134102-27-5.
What is the molecular formula of RefChem:128672?
The molecular formula of RefChem:128672 is C20H24N6O10S4.
What is the molecular weight of RefChem:128672?
The molecular weight of RefChem:128672 is 636.0437 g/mol.
Where can I buy RefChem:128672?
You can request a quote for RefChem:128672 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:128672?
Yes, CoreyChem provides custom synthesis services for RefChem:128672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.