Ethyl 2-phenylhexanoate
TL;DR: Ethyl 2-phenylhexanoate (CAS 29212-66-6) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-phenylhexanoate
Also Known As: ethyl 2-phenylhexanoate, NCIOpen2_004358, 2-Phenylhexanoic acid ethyl ester, 2-phenyl-hexanoic acid ethyl ester, Benzeneacetic acid,a-butyl-,ethyl ester
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 29212-66-6 |
|---|---|
| SMILES | CCCCC(C1=CC=CC=C1)C(=O)OCC |
| InChIKey | VXXZJRUDASOJNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-phenylhexanoate (CAS 29212-66-6), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: ethyl 2-phenylhexanoate.
Chemical Property Profile of Ethyl 2-phenylhexanoate
Property Insights of Ethyl 2-phenylhexanoate
The XLogP value of 4.1 indicates that Ethyl 2-phenylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-phenylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-phenylhexanoate 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 Ethyl 2-phenylhexanoate?
The CAS number of Ethyl 2-phenylhexanoate is 29212-66-6.
What is the molecular formula of Ethyl 2-phenylhexanoate?
The molecular formula of Ethyl 2-phenylhexanoate is C14H20O2.
What is the molecular weight of Ethyl 2-phenylhexanoate?
The molecular weight of Ethyl 2-phenylhexanoate is 220.15 g/mol.
Where can I buy Ethyl 2-phenylhexanoate?
You can request a quote for Ethyl 2-phenylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-phenylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-phenylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.