7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid
TL;DR: 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid (CAS 56348-70-0) is a chemical compound with molecular formula C17H22N2O9S and molecular weight 430.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-(acetyloxymethyl)-7-(5-carboxypentanoylamino)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((5-carboxy-1-oxopentyl)amino)-7-methoxy-8-oxo-, (6R-trans)-, (6R,7R)-3-(acetyloxymethyl)-7-(5-carboxypentanoylamino)-7-methoxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7R)-3-(acetyloxymethyl)-7-(5-carboxypentanoylamino)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-(acetyloxymethyl)-7-[(6-hydroxy-6-oxohexanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C17H22N2O9S |
|---|---|
| Molecular Weight | 430.10 g/mol |
| LogP | -0.0928 |
| Topological Polar Surface Area | 159.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 430.1046 |
| Heavy Atoms | 29 |
| Complexity | 766.0025 |
Chemical Identifiers
| CAS Number | 56348-70-0 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@](C2=O)(NC(=O)CCCCC(=O)O)OC)SC1)C(=O)O |
Product Overview
7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid (CAS 56348-70-0), with molecular formula C17H22N2O9S and molecular weight 430.10 g/mol. IUPAC: (6R,7R)-3-(acetyloxymethyl)-7-(5-carboxypentanoylamino)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid
Property Insights of 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid
The XLogP value of -0.0928 indicates that 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.54 Ų indicates high polarity, suggesting 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid has 3 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 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid?
The CAS number of 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid is 56348-70-0.
What is the molecular formula of 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid?
The molecular formula of 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid is C17H22N2O9S.
What is the molecular weight of 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid?
The molecular weight of 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid is 430.10 g/mol.
Where can I buy 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid?
You can request a quote for 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.