Ethyl 3-phenylpentanoate
TL;DR: Ethyl 3-phenylpentanoate (CAS 67478-54-0) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenylpentanoate
Also Known As: Ethyl 3-phenylpentanoate, ethyl 3-ethyl-3-phenylpropionate, 3-Phenylpentanoic acid ethyl ester
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.1334 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 292.6641 |
Chemical Identifiers
| CAS Number | 67478-54-0 |
|---|---|
| SMILES | CCC(CC(=O)OCC)C1=CC=CC=C1 |
Product Overview
Ethyl 3-phenylpentanoate (CAS 67478-54-0), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: ethyl 3-phenylpentanoate.
Chemical Property Profile of Ethyl 3-phenylpentanoate
Property Insights of Ethyl 3-phenylpentanoate
The XLogP value of 3.1334 indicates that Ethyl 3-phenylpentanoate 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 3-phenylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-phenylpentanoate 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 3-phenylpentanoate?
The CAS number of Ethyl 3-phenylpentanoate is 67478-54-0.
What is the molecular formula of Ethyl 3-phenylpentanoate?
The molecular formula of Ethyl 3-phenylpentanoate is C13H18O2.
What is the molecular weight of Ethyl 3-phenylpentanoate?
The molecular weight of Ethyl 3-phenylpentanoate is 206.13 g/mol.
Where can I buy Ethyl 3-phenylpentanoate?
You can request a quote for Ethyl 3-phenylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-phenylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-phenylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.