RefChem:1097344
TL;DR: RefChem:1097344 (CAS 107531-06-6) is a chemical compound with molecular formula C22H20N8O5S2 and molecular weight 540.0998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6S,7S)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(4-imidazol-1-ylpyridin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Pyridinium, 1-((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)-4-(1H-imidazol-1-yl)-, hydroxide, inner salt, dihydrate, (6R-(6-alpha,7-beta(Z)))-, (6S,7S)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[4-(1H-imidazol-1-yl)pyridin-1-ium-1-yl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Technical Specifications
| Molecular Formula | C22H20N8O5S2 |
| Molecular Weight | 540.0998 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 225.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.0998 Da |
| Heavy Atoms | 37 |
| Complexity | 983.0 |
| SMILES | CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@@H]2[C@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C(C=C4)N5C=CN=C5)C(=O)[O-] |
| InChIKey | RUDJSNCMSUAKSL-NORLRKDPSA-N |
Chemical Property Profile of RefChem:1097344
Property Insights of RefChem:1097344
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097344. The TPSA of 225.0 Ų indicates high polarity, suggesting RefChem:1097344 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097344 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1097344?
The CAS number of RefChem:1097344 is 107531-06-6.
What is the molecular formula of RefChem:1097344?
The molecular formula of RefChem:1097344 is C22H20N8O5S2.
What is the molecular weight of RefChem:1097344?
The molecular weight of RefChem:1097344 is 540.0998 g/mol.
Where can I buy RefChem:1097344?
You can request a quote for RefChem:1097344 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1097344?
Yes, CoreyChem provides custom synthesis services for RefChem:1097344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.