7-Phenylacetamidodeacetoxycephalosporanic acid
TL;DR: 7-Phenylacetamidodeacetoxycephalosporanic acid (CAS 27910-29-8) is a chemical compound with molecular formula C20H20N2O8S and molecular weight 448.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-(acetyloxymethyl)-7-[(2-acetyloxy-2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 7-Pdca, 7-Phenylacetamidodeacetoxycephalosporanic acid, 7-Phenylacetamidodesacetoxycephalosporanic acid, delta(3)-7alpha-Phenylacetamidodesacetoxycephalosporanic, 7-phenylacetamido-desacetoxycephalosporanic acid
| Molecular Formula | C20H20N2O8S |
|---|---|
| Molecular Weight | 448.09 g/mol |
| LogP | 0.5925 |
| Topological Polar Surface Area | 139.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.09402 |
| Heavy Atoms | 31 |
| Complexity | 961.18634 |
Chemical Identifiers
| CAS Number | 27910-29-8 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)OC(=O)C)SC1)C(=O)O |
Product Overview
7-Phenylacetamidodeacetoxycephalosporanic acid (CAS 27910-29-8), with molecular formula C20H20N2O8S and molecular weight 448.09 g/mol. IUPAC: (6R,7R)-3-(acetyloxymethyl)-7-[(2-acetyloxy-2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 7-Phenylacetamidodeacetoxycephalosporanic acid
Property Insights of 7-Phenylacetamidodeacetoxycephalosporanic acid
The XLogP value of 0.5925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Phenylacetamidodeacetoxycephalosporanic acid. The TPSA of 139.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Phenylacetamidodeacetoxycephalosporanic acid. Following Lipinski's Rule of Five, 7-Phenylacetamidodeacetoxycephalosporanic acid 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
Frequently Asked Questions
What is the CAS number of 7-Phenylacetamidodeacetoxycephalosporanic acid?
The CAS number of 7-Phenylacetamidodeacetoxycephalosporanic acid is 27910-29-8.
What is the molecular formula of 7-Phenylacetamidodeacetoxycephalosporanic acid?
The molecular formula of 7-Phenylacetamidodeacetoxycephalosporanic acid is C20H20N2O8S.
What is the molecular weight of 7-Phenylacetamidodeacetoxycephalosporanic acid?
The molecular weight of 7-Phenylacetamidodeacetoxycephalosporanic acid is 448.09 g/mol.
Where can I buy 7-Phenylacetamidodeacetoxycephalosporanic acid?
You can request a quote for 7-Phenylacetamidodeacetoxycephalosporanic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Phenylacetamidodeacetoxycephalosporanic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Phenylacetamidodeacetoxycephalosporanic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.