Phenoxymethylanhydropenicillin
TL;DR: Phenoxymethylanhydropenicillin (CAS 16872-50-7) is a chemical compound with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5R,6R)-3,7-dioxo-2-propan-2-ylidene-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenoxyacetamide
Also Known As: Phenoxymethylanhydropenicillin, N-[(5R,6R)-3,7-dioxo-2-propan-2-ylidene-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenoxyacetamide, Acetamide, N-(2-(1-methylethylidene)-3,7-dioxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenoxy-, (5R-trans)-, n-[(5r,6r)-3,7-dioxo-2-(propan-2-ylidene)-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenoxyacetamide, N-[(5R,6R)-3,7-Dioxo-2-(propan-2-ylidene)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl](phenoxy)ethanimidic acid
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 16872-50-7 |
|---|---|
| SMILES | CC(=C1C(=O)S[C@H]2N1C(=O)[C@H]2NC(=O)COC3=CC=CC=C3)C |
| InChIKey | BRZUAOOYURQIIO-IUODEOHRSA-N |
Product Overview
Phenoxymethylanhydropenicillin (CAS 16872-50-7), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: N-[(5R,6R)-3,7-dioxo-2-propan-2-ylidene-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenoxyacetamide.
Chemical Property Profile of Phenoxymethylanhydropenicillin
Property Insights of Phenoxymethylanhydropenicillin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenoxymethylanhydropenicillin. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenoxymethylanhydropenicillin. Following Lipinski's Rule of Five, Phenoxymethylanhydropenicillin has 1 hydrogen bond donor(s) and 5 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 Phenoxymethylanhydropenicillin?
The CAS number of Phenoxymethylanhydropenicillin is 16872-50-7.
What is the molecular formula of Phenoxymethylanhydropenicillin?
The molecular formula of Phenoxymethylanhydropenicillin is C16H16N2O4S.
What is the molecular weight of Phenoxymethylanhydropenicillin?
The molecular weight of Phenoxymethylanhydropenicillin is 332.08 g/mol.
Where can I buy Phenoxymethylanhydropenicillin?
You can request a quote for Phenoxymethylanhydropenicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenoxymethylanhydropenicillin?
Yes, KEHONG BIO provides custom synthesis services for Phenoxymethylanhydropenicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.