头孢西丁
TL;DR: 头孢西丁 (CAS 35607-66-0) is a chemical compound with molecular formula C16H17N3O7S2 and molecular weight 427.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢西丁
3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: cefoxitin, 3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, C16H17N3O7S2
| Molecular Formula | C16H17N3O7S2 |
|---|---|
| Molecular Weight | 427.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.05078 |
| Heavy Atoms | 28 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 35607-66-0 |
|---|---|
| SMILES | COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3 |
| InChIKey | WZOZEZRFJCJXNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
头孢西丁 (CAS 35607-66-0), with molecular formula C16H17N3O7S2 and molecular weight 427.05 g/mol. IUPAC: 3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢西丁
Property Insights of 头孢西丁
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 头孢西丁. The TPSA of 202.0 Ų indicates high polarity, suggesting 头孢西丁 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢西丁 has 3 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 头孢西丁?
The CAS number of 头孢西丁 is 35607-66-0.
What is the molecular formula of 头孢西丁?
The molecular formula of 头孢西丁 is C16H17N3O7S2.
What is the molecular weight of 头孢西丁?
The molecular weight of 头孢西丁 is 427.05 g/mol.
Where can I buy 头孢西丁?
You can request a quote for 头孢西丁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢西丁?
Yes, KEHONG BIO provides custom synthesis services for 头孢西丁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.