Deacetylcephalothin
TL;DR: Deacetylcephalothin (CAS 5935-65-9) is a chemical compound with molecular formula C14H14N2O5S2 and molecular weight 354.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-(hydroxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Desacetylcephalothin, deacetylcephalothin, Cefalonium Impurity B, des-acetyl cephalothin, Cefalotin EP Impurity B
| Molecular Formula | C14H14N2O5S2 |
|---|---|
| Molecular Weight | 354.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.03442 |
| Heavy Atoms | 23 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 5935-65-9 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O)CO |
| InChIKey | HTBAVMIGXROYPQ-ZWNOBZJWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Deacetylcephalothin (CAS 5935-65-9), with molecular formula C14H14N2O5S2 and molecular weight 354.03 g/mol. IUPAC: (6R,7R)-3-(hydroxymethyl)-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 Deacetylcephalothin
Property Insights of Deacetylcephalothin
The XLogP value of -0.3 indicates that Deacetylcephalothin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.0 Ų indicates high polarity, suggesting Deacetylcephalothin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deacetylcephalothin has 3 hydrogen bond donor(s) and 7 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 Deacetylcephalothin?
The CAS number of Deacetylcephalothin is 5935-65-9.
What is the molecular formula of Deacetylcephalothin?
The molecular formula of Deacetylcephalothin is C14H14N2O5S2.
What is the molecular weight of Deacetylcephalothin?
The molecular weight of Deacetylcephalothin is 354.03 g/mol.
Where can I buy Deacetylcephalothin?
You can request a quote for Deacetylcephalothin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deacetylcephalothin?
Yes, KEHONG BIO provides custom synthesis services for Deacetylcephalothin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.