O-Carbamoyl-deacetylcephalosporin C
TL;DR: O-Carbamoyl-deacetylcephalosporin C (CAS 6641-34-5) is a chemical compound with molecular formula C15H20N4O8S and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Antibiotic WS 3442B, O-Carbamoyl-deacetylcephalosporin C, Antibiotic A-16886A, KST-1A7318, (7-(5-Amino-5-carboxyvaleramido)-3-carbamoyloxymethyl-3-cephem-4-carboxylic acid)
| Molecular Formula | C15H20N4O8S |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | -5.0 |
| Topological Polar Surface Area | 228.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 416.1002 |
| Heavy Atoms | 28 |
| Complexity | 740.0 |
Chemical Identifiers
| CAS Number | 6641-34-5 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)C(=O)O)COC(=O)N |
| InChIKey | LSRDVUINCBDNAZ-JWKOBGCHSA-N |
Product Overview
O-Carbamoyl-deacetylcephalosporin C (CAS 6641-34-5), with molecular formula C15H20N4O8S and molecular weight 416.10 g/mol. IUPAC: (6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of O-Carbamoyl-deacetylcephalosporin C
Property Insights of O-Carbamoyl-deacetylcephalosporin C
The XLogP value of -5.0 indicates that O-Carbamoyl-deacetylcephalosporin C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 228.0 Ų indicates high polarity, suggesting O-Carbamoyl-deacetylcephalosporin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-Carbamoyl-deacetylcephalosporin C has 5 hydrogen bond donor(s) and 10 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 O-Carbamoyl-deacetylcephalosporin C?
The CAS number of O-Carbamoyl-deacetylcephalosporin C is 6641-34-5.
What is the molecular formula of O-Carbamoyl-deacetylcephalosporin C?
The molecular formula of O-Carbamoyl-deacetylcephalosporin C is C15H20N4O8S.
What is the molecular weight of O-Carbamoyl-deacetylcephalosporin C?
The molecular weight of O-Carbamoyl-deacetylcephalosporin C is 416.10 g/mol.
Where can I buy O-Carbamoyl-deacetylcephalosporin C?
You can request a quote for O-Carbamoyl-deacetylcephalosporin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Carbamoyl-deacetylcephalosporin C?
Yes, KEHONG BIO provides custom synthesis services for O-Carbamoyl-deacetylcephalosporin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.