Cefoxazole
TL;DR: Cefoxazole (CAS 36920-48-6) is a chemical compound with molecular formula C21H18ClN3O7S and molecular weight 491.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-(acetyloxymethyl)-7-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cefoxazole, Cephoxazole, Cefoxazol, Cefoxazolum, Cephoxazol
| Molecular Formula | C21H18ClN3O7S |
|---|---|
| Molecular Weight | 491.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.0554 |
| Heavy Atoms | 33 |
| Complexity | 884.0 |
Chemical Identifiers
| CAS Number | 36920-48-6 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)COC(=O)C)C(=O)O |
| InChIKey | OCLRGULJISNUQS-OXQOHEQNSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cefoxazole (CAS 36920-48-6), with molecular formula C21H18ClN3O7S and molecular weight 491.06 g/mol. IUPAC: (6R,7R)-3-(acetyloxymethyl)-7-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Cefoxazole
Property Insights of Cefoxazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cefoxazole. The TPSA of 164.0 Ų indicates high polarity, suggesting Cefoxazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cefoxazole has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cefoxazole?
The CAS number of Cefoxazole is 36920-48-6.
What is the molecular formula of Cefoxazole?
The molecular formula of Cefoxazole is C21H18ClN3O7S.
What is the molecular weight of Cefoxazole?
The molecular weight of Cefoxazole is 491.06 g/mol.
Where can I buy Cefoxazole?
You can request a quote for Cefoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cefoxazole?
Yes, KEHONG BIO provides custom synthesis services for Cefoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.