Ethyl 5-phenylpentanoate
TL;DR: Ethyl 5-phenylpentanoate (CAS 2105-14-8) 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 5-phenylpentanoate
Also Known As: ethyl 5-phenylpentanoate, 5-phenylvaleric acid ethyl ester, Ethyl 5-phenylvalerate, Benzenepentanoic acid, ethyl ester, Benzenepentanoicacid,ethyl ester
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 2105-14-8 |
|---|---|
| SMILES | CCOC(=O)CCCCC1=CC=CC=C1 |
| InChIKey | QCHDRUGIAZBPGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-phenylpentanoate (CAS 2105-14-8), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: ethyl 5-phenylpentanoate.
Chemical Property Profile of Ethyl 5-phenylpentanoate
Property Insights of Ethyl 5-phenylpentanoate
The XLogP value of 3.4 indicates that Ethyl 5-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 5-phenylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-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 5-phenylpentanoate?
The CAS number of Ethyl 5-phenylpentanoate is 2105-14-8.
What is the molecular formula of Ethyl 5-phenylpentanoate?
The molecular formula of Ethyl 5-phenylpentanoate is C13H18O2.
What is the molecular weight of Ethyl 5-phenylpentanoate?
The molecular weight of Ethyl 5-phenylpentanoate is 206.13 g/mol.
Where can I buy Ethyl 5-phenylpentanoate?
You can request a quote for Ethyl 5-phenylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-phenylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-phenylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.