Methyl alpha-phenylbenzeneacetate
TL;DR: Methyl alpha-phenylbenzeneacetate (CAS 3469-00-9) is a chemical compound with molecular formula C15H14O2 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-diphenylacetate
Also Known As: Methyl diphenylacetate, methyl 2,2-diphenylacetate, METHYLDIPHENYLACETATE, Acetic acid, methyl ester, Methyl 2,2-di(phenyl)ethanoate
| Molecular Formula | C15H14O2 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.09938 |
| Heavy Atoms | 17 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 3469-00-9 |
|---|---|
| SMILES | COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | AORIUCNKPVHMTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl alpha-phenylbenzeneacetate (CAS 3469-00-9), with molecular formula C15H14O2 and molecular weight 226.10 g/mol. IUPAC: methyl 2,2-diphenylacetate.
Chemical Property Profile of Methyl alpha-phenylbenzeneacetate
Property Insights of Methyl alpha-phenylbenzeneacetate
The XLogP value of 3.4 indicates that Methyl alpha-phenylbenzeneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl alpha-phenylbenzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl alpha-phenylbenzeneacetate has 0 hydrogen bond donor(s) and 2 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 Methyl alpha-phenylbenzeneacetate?
The CAS number of Methyl alpha-phenylbenzeneacetate is 3469-00-9.
What is the molecular formula of Methyl alpha-phenylbenzeneacetate?
The molecular formula of Methyl alpha-phenylbenzeneacetate is C15H14O2.
What is the molecular weight of Methyl alpha-phenylbenzeneacetate?
The molecular weight of Methyl alpha-phenylbenzeneacetate is 226.10 g/mol.
Where can I buy Methyl alpha-phenylbenzeneacetate?
You can request a quote for Methyl alpha-phenylbenzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl alpha-phenylbenzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl alpha-phenylbenzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.