2-(Biphenyl-4-yl)-2-oxoethyl acetate
TL;DR: 2-(Biphenyl-4-yl)-2-oxoethyl acetate (CAS 5428-99-9) 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.
[2-oxo-2-(4-phenylphenyl)ethyl] acetate
Also Known As: 4-phenylphenacyl acetate, 2-(biphenyl-4-yl)-2-oxoethyl acetate, [2-oxo-2-(4-phenylphenyl)ethyl] acetate, Acetic acid 4-phenylphenacyl ester, Essigsaeure-<4-phenyl-phenacylester>
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.2 |
| 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 | 5428-99-9 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 |
| InChIKey | JAVWKTYKNBPSOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Biphenyl-4-yl)-2-oxoethyl acetate (CAS 5428-99-9), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: [2-oxo-2-(4-phenylphenyl)ethyl] acetate.
Chemical Property Profile of 2-(Biphenyl-4-yl)-2-oxoethyl acetate
Property Insights of 2-(Biphenyl-4-yl)-2-oxoethyl acetate
The XLogP value of 3.2 indicates that 2-(Biphenyl-4-yl)-2-oxoethyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2-(Biphenyl-4-yl)-2-oxoethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Biphenyl-4-yl)-2-oxoethyl acetate 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 2-(Biphenyl-4-yl)-2-oxoethyl acetate?
The CAS number of 2-(Biphenyl-4-yl)-2-oxoethyl acetate is 5428-99-9.
What is the molecular formula of 2-(Biphenyl-4-yl)-2-oxoethyl acetate?
The molecular formula of 2-(Biphenyl-4-yl)-2-oxoethyl acetate is C16H14O3.
What is the molecular weight of 2-(Biphenyl-4-yl)-2-oxoethyl acetate?
The molecular weight of 2-(Biphenyl-4-yl)-2-oxoethyl acetate is 254.09 g/mol.
Where can I buy 2-(Biphenyl-4-yl)-2-oxoethyl acetate?
You can request a quote for 2-(Biphenyl-4-yl)-2-oxoethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Biphenyl-4-yl)-2-oxoethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Biphenyl-4-yl)-2-oxoethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.