Phenyl 4-benzoylbenzoate
TL;DR: Phenyl 4-benzoylbenzoate (CAS 37991-79-0) is a chemical compound with molecular formula C20H14O3 and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-benzoylbenzoate
Also Known As: phenyl 4-benzoylbenzoate, Phenyl 4-(benzoyl)benzoate, 4-Benzoylbenzoic acid phenyl ester, J3.497.507H
| Molecular Formula | C20H14O3 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 4.1368 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.0943 |
| Heavy Atoms | 23 |
| Complexity | 806.5252 |
Chemical Identifiers
| CAS Number | 37991-79-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3 |
Product Overview
Phenyl 4-benzoylbenzoate (CAS 37991-79-0), with molecular formula C20H14O3 and molecular weight 302.09 g/mol. IUPAC: phenyl 4-benzoylbenzoate.
Chemical Property Profile of Phenyl 4-benzoylbenzoate
Property Insights of Phenyl 4-benzoylbenzoate
The XLogP value of 4.1368 indicates that Phenyl 4-benzoylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Phenyl 4-benzoylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 4-benzoylbenzoate 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 Phenyl 4-benzoylbenzoate?
The CAS number of Phenyl 4-benzoylbenzoate is 37991-79-0.
What is the molecular formula of Phenyl 4-benzoylbenzoate?
The molecular formula of Phenyl 4-benzoylbenzoate is C20H14O3.
What is the molecular weight of Phenyl 4-benzoylbenzoate?
The molecular weight of Phenyl 4-benzoylbenzoate is 302.09 g/mol.
Where can I buy Phenyl 4-benzoylbenzoate?
You can request a quote for Phenyl 4-benzoylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 4-benzoylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 4-benzoylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.