RefChem:1097456
TL;DR: RefChem:1097456 (CAS 115369-51-2) is a chemical compound with molecular formula C22H22N6O7S3 and molecular weight 578.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,7S)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1S)-1-carboxyethoxy]iminoacetyl]amino]-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Pyridinium, 4-(((7-(((2-amino-4-thiazolyl)((1-carboxyethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta(Z(S*))))-
| Molecular Formula | C22H22N6O7S3 |
|---|---|
| Molecular Weight | 578.07 g/mol |
| LogP | -1.0602 |
| Topological Polar Surface Area | 191.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 578.0712 |
| Heavy Atoms | 38 |
| Complexity | 1343.1556 |
Chemical Identifiers
| CAS Number | 115369-51-2 |
|---|---|
| SMILES | C[C@@H](C(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)N[C@@H]2[C@H]3N(C2=O)C(=C(CS3)CSC4=CC=[N+](C=C4)C)C(=O)[O-] |
Product Overview
RefChem:1097456 (CAS 115369-51-2), with molecular formula C22H22N6O7S3 and molecular weight 578.07 g/mol. IUPAC: (6S,7S)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1S)-1-carboxyethoxy]iminoacetyl]amino]-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of RefChem:1097456
Property Insights of RefChem:1097456
The XLogP value of -1.0602 indicates that RefChem:1097456 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.22 Ų indicates high polarity, suggesting RefChem:1097456 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097456 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097456?
The CAS number of RefChem:1097456 is 115369-51-2.
What is the molecular formula of RefChem:1097456?
The molecular formula of RefChem:1097456 is C22H22N6O7S3.
What is the molecular weight of RefChem:1097456?
The molecular weight of RefChem:1097456 is 578.07 g/mol.
Where can I buy RefChem:1097456?
You can request a quote for RefChem:1097456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097456?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.