头孢噻吩
TL;DR: 头孢噻吩 (CAS 153-61-7) is a chemical compound with molecular formula C16H16N2O6S2 and molecular weight 396.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢噻吩
3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: cephalothin, Cephalotin, Cefalotin, Ethyl1,7-naphthyridine-3-carboxylate, BAS 00444296
| Molecular Formula | C16H16N2O6S2 |
|---|---|
| Molecular Weight | 396.04 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.04498 |
| Heavy Atoms | 26 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 153-61-7 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O |
| InChIKey | XIURVHNZVLADCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
头孢噻吩 (CAS 153-61-7), with molecular formula C16H16N2O6S2 and molecular weight 396.04 g/mol. IUPAC: 3-(acetyloxymethyl)-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 头孢噻吩
Property Insights of 头孢噻吩
The XLogP value of -0.4 indicates that 头孢噻吩 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting 头孢噻吩 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢噻吩 has 2 hydrogen bond donor(s) and 8 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 头孢噻吩?
The CAS number of 头孢噻吩 is 153-61-7.
What is the molecular formula of 头孢噻吩?
The molecular formula of 头孢噻吩 is C16H16N2O6S2.
What is the molecular weight of 头孢噻吩?
The molecular weight of 头孢噻吩 is 396.04 g/mol.
Where can I buy 头孢噻吩?
You can request a quote for 头孢噻吩 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢噻吩?
Yes, KEHONG BIO provides custom synthesis services for 头孢噻吩 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.