Ethyl 4-phenylbenzoylformate
TL;DR: Ethyl 4-phenylbenzoylformate (CAS 6244-53-7) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-2-(4-phenylphenyl)acetate
Also Known As: ETHYL 4-PHENYLBENZOYLFORMATE, Ethyl 4-biphenylylglyoxylate, ethyl 2-oxo-2-(4-phenylphenyl)acetate, Ethyl 4-biphenylyl(oxo)acetate, Ethyl alpha-oxo[1,1'-biphenyl]-4-acetate
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 6244-53-7 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC=C(C=C1)C2=CC=CC=C2 |
| InChIKey | JSNHSBCQHIQENB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-phenylbenzoylformate (CAS 6244-53-7), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: ethyl 2-oxo-2-(4-phenylphenyl)acetate.
Chemical Property Profile of Ethyl 4-phenylbenzoylformate
Property Insights of Ethyl 4-phenylbenzoylformate
The XLogP value of 3.6 indicates that Ethyl 4-phenylbenzoylformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 4-phenylbenzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-phenylbenzoylformate 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 Ethyl 4-phenylbenzoylformate?
The CAS number of Ethyl 4-phenylbenzoylformate is 6244-53-7.
What is the molecular formula of Ethyl 4-phenylbenzoylformate?
The molecular formula of Ethyl 4-phenylbenzoylformate is C16H14O3.
What is the molecular weight of Ethyl 4-phenylbenzoylformate?
The molecular weight of Ethyl 4-phenylbenzoylformate is 254.09 g/mol.
Where can I buy Ethyl 4-phenylbenzoylformate?
You can request a quote for Ethyl 4-phenylbenzoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-phenylbenzoylformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-phenylbenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.