Benzeneacetic acid, alpha-ethyl-, ethyl ester
TL;DR: Benzeneacetic acid, alpha-ethyl-, ethyl ester (CAS 119-43-7) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-phenylbutanoate
Also Known As: Ethyl 2-phenylbutanoate, Ethyl 2-phenylbutyrate, Ethyl alpha-phenylbutyrate, 5-Chloro-pentanal, ethyl phenylbutyrate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 119-43-7 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)OCC |
| InChIKey | CLLUFLLBRNCOLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, alpha-ethyl-, ethyl ester (CAS 119-43-7), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: ethyl 2-phenylbutanoate.
Chemical Property Profile of Benzeneacetic acid, alpha-ethyl-, ethyl ester
Property Insights of Benzeneacetic acid, alpha-ethyl-, ethyl ester
The XLogP value of 3.0 indicates that Benzeneacetic acid, alpha-ethyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneacetic acid, alpha-ethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-ethyl-, ethyl 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-, ethyl ester?
The CAS number of Benzeneacetic acid, alpha-ethyl-, ethyl ester is 119-43-7.
What is the molecular formula of Benzeneacetic acid, alpha-ethyl-, ethyl ester?
The molecular formula of Benzeneacetic acid, alpha-ethyl-, ethyl ester is C12H16O2.
What is the molecular weight of Benzeneacetic acid, alpha-ethyl-, ethyl ester?
The molecular weight of Benzeneacetic acid, alpha-ethyl-, ethyl ester is 192.12 g/mol.
Where can I buy Benzeneacetic acid, alpha-ethyl-, ethyl ester?
You can request a quote for Benzeneacetic acid, alpha-ethyl-, ethyl 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-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-ethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.