Cefacetrile
TL;DR: Cefacetrile (CAS 10206-21-0) is a chemical compound with molecular formula C13H13N3O6S and molecular weight 339.05252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cefacetrile, Cephacetrile, Celospor, Cefacetril, Cefacetrilo
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H13N3O6S |
| Molecular Weight | 339.05252 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.05252 Da |
| Heavy Atoms | 23 |
| Complexity | 664.0 |
| Melting Point | 168-170 |
| Solubility | 2.43e+00 g/L |
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O |
| InChIKey | RRYMAQUWDLIUPV-BXKDBHETSA-N |
Chemical Property Profile of Cefacetrile
Property Insights of Cefacetrile
The XLogP value of -0.5 indicates that Cefacetrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting Cefacetrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cefacetrile 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
What is the CAS number of Cefacetrile?
The CAS number of Cefacetrile is 10206-21-0.
What is the molecular formula of Cefacetrile?
The molecular formula of Cefacetrile is C13H13N3O6S.
What is the molecular weight of Cefacetrile?
The molecular weight of Cefacetrile is 339.05252 g/mol.
Where can I buy Cefacetrile?
You can request a quote for Cefacetrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cefacetrile?
Yes, CoreyChem provides custom synthesis services for Cefacetrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.