Benzeneacetic acid, alpha-ethyl-, methyl ester
TL;DR: Benzeneacetic acid, alpha-ethyl-, methyl ester (CAS 2294-71-5) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-phenylbutanoate
Also Known As: Methyl 2-phenylbutanoate, Methyl 2-phenylbutyrate, Butamirate Impurity 3, Methyl2-phenylbutanoate, Methyl alpha-phenylbutyrate
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 2294-71-5 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)OC |
| InChIKey | PPIQQNDMGXNRFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, alpha-ethyl-, methyl ester (CAS 2294-71-5), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: methyl 2-phenylbutanoate.
Chemical Property Profile of Benzeneacetic acid, alpha-ethyl-, methyl ester
Property Insights of Benzeneacetic acid, alpha-ethyl-, methyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha-ethyl-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneacetic acid, alpha-ethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-ethyl-, methyl ester 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 Benzeneacetic acid, alpha-ethyl-, methyl ester?
The CAS number of Benzeneacetic acid, alpha-ethyl-, methyl ester is 2294-71-5.
What is the molecular formula of Benzeneacetic acid, alpha-ethyl-, methyl ester?
The molecular formula of Benzeneacetic acid, alpha-ethyl-, methyl ester is C11H14O2.
What is the molecular weight of Benzeneacetic acid, alpha-ethyl-, methyl ester?
The molecular weight of Benzeneacetic acid, alpha-ethyl-, methyl ester is 178.10 g/mol.
Where can I buy Benzeneacetic acid, alpha-ethyl-, methyl ester?
You can request a quote for Benzeneacetic acid, alpha-ethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-ethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-ethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.