7-Methoxycephalosporin C
TL;DR: 7-Methoxycephalosporin C (CAS 41849-38-1) is a chemical compound with molecular formula C17H23N3O9S and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7S)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 7-Methoxycephalosporin C, Antibiotic A 16884, 7-methoxycephalosporinC, Antibiotic A-16884, Antibiotic A-16884A
| Molecular Formula | C17H23N3O9S |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 445.1155 |
| Heavy Atoms | 30 |
| Complexity | 799.0 |
Chemical Identifiers
| CAS Number | 41849-38-1 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)CCC[C@H](C(=O)O)N)OC)SC1)C(=O)O |
| InChIKey | ORQHMODRGXTBFU-LWNYNHHKSA-N |
Product Overview
7-Methoxycephalosporin C (CAS 41849-38-1), with molecular formula C17H23N3O9S and molecular weight 445.12 g/mol. IUPAC: (6R,7S)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 7-Methoxycephalosporin C
Property Insights of 7-Methoxycephalosporin C
The XLogP value of -3.7 indicates that 7-Methoxycephalosporin C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 211.0 Ų indicates high polarity, suggesting 7-Methoxycephalosporin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Methoxycephalosporin C has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Methoxycephalosporin C?
The CAS number of 7-Methoxycephalosporin C is 41849-38-1.
What is the molecular formula of 7-Methoxycephalosporin C?
The molecular formula of 7-Methoxycephalosporin C is C17H23N3O9S.
What is the molecular weight of 7-Methoxycephalosporin C?
The molecular weight of 7-Methoxycephalosporin C is 445.12 g/mol.
Where can I buy 7-Methoxycephalosporin C?
You can request a quote for 7-Methoxycephalosporin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxycephalosporin C?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxycephalosporin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.