p-Phenylphenacyl benzoate
TL;DR: p-Phenylphenacyl benzoate (CAS 4347-61-9) is a chemical compound with molecular formula C21H16O3 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(4-phenylphenyl)ethyl] benzoate
Also Known As: p-Phenylphenacyl benzoate, Acetophenone, benzoate, Benzoicacid4-phenylphenacylester, Ethanone,1'-biphenyl]-4-yl-, Benzoic acid 4-phenylphenacyl ester
| Molecular Formula | C21H16O3 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.10995 |
| Heavy Atoms | 24 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 4347-61-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=CC=C3 |
| InChIKey | LYRKZCCOQJWSLZ-UHFFFAOYSA-N |
Product Overview
p-Phenylphenacyl benzoate (CAS 4347-61-9), with molecular formula C21H16O3 and molecular weight 316.11 g/mol. IUPAC: [2-oxo-2-(4-phenylphenyl)ethyl] benzoate.
Chemical Property Profile of p-Phenylphenacyl benzoate
Property Insights of p-Phenylphenacyl benzoate
The XLogP value of 4.8 indicates that p-Phenylphenacyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, p-Phenylphenacyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Phenylphenacyl benzoate has 0 hydrogen bond donor(s) and 3 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 p-Phenylphenacyl benzoate?
The CAS number of p-Phenylphenacyl benzoate is 4347-61-9.
What is the molecular formula of p-Phenylphenacyl benzoate?
The molecular formula of p-Phenylphenacyl benzoate is C21H16O3.
What is the molecular weight of p-Phenylphenacyl benzoate?
The molecular weight of p-Phenylphenacyl benzoate is 316.11 g/mol.
Where can I buy p-Phenylphenacyl benzoate?
You can request a quote for p-Phenylphenacyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Phenylphenacyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for p-Phenylphenacyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.