Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate
TL;DR: Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate (CAS 146383-05-3) is a chemical compound with molecular formula C23H26N2O6S and molecular weight 458.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropanoyloxymethyl (6R,7R)-3-ethenyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Pom-pavcc, Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate, 2,2-dimethylpropanoyloxymethyl (6R,7R)-3-ethenyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, [(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-3-ethenyl-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-ethenyl-8-oxo-7-((phenylacetyl)amino)-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-trans)-
| Molecular Formula | C23H26N2O6S |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 458.15115 |
| Heavy Atoms | 32 |
| Complexity | 825.0 |
Chemical Identifiers
| CAS Number | 146383-05-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCOC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C=C |
| InChIKey | IPWNJKJYNDLPHY-YLJYHZDGSA-N |
Product Overview
Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate (CAS 146383-05-3), with molecular formula C23H26N2O6S and molecular weight 458.15 g/mol. IUPAC: 2,2-dimethylpropanoyloxymethyl (6R,7R)-3-ethenyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate
Property Insights of Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate
The XLogP value of 3.0 indicates that Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate. Following Lipinski's Rule of Five, Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate has 1 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 Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate?
The CAS number of Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate is 146383-05-3.
What is the molecular formula of Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate?
The molecular formula of Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate is C23H26N2O6S.
What is the molecular weight of Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate?
The molecular weight of Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate is 458.15 g/mol.
Where can I buy Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate?
You can request a quote for Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.