1-Phenylethyl valerate
TL;DR: 1-Phenylethyl valerate (CAS 3460-43-3) 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.
1-phenylethyl pentanoate
Also Known As: 1-Phenylethyl valerate, 1-phenylethyl pentanoate, 1-phenylethylvalerate, Pentanoic acid 1-phenylethyl ester, Pentanoic acid,1-phenylethyl 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 | 6 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 3460-43-3 |
|---|---|
| SMILES | CCCCC(=O)OC(C)C1=CC=CC=C1 |
| InChIKey | PTBSIZMEMKOIHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenylethyl valerate (CAS 3460-43-3), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 1-phenylethyl pentanoate.
Chemical Property Profile of 1-Phenylethyl valerate
Property Insights of 1-Phenylethyl valerate
The XLogP value of 3.4 indicates that 1-Phenylethyl valerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Phenylethyl valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylethyl valerate 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 1-Phenylethyl valerate?
The CAS number of 1-Phenylethyl valerate is 3460-43-3.
What is the molecular formula of 1-Phenylethyl valerate?
The molecular formula of 1-Phenylethyl valerate is C13H18O2.
What is the molecular weight of 1-Phenylethyl valerate?
The molecular weight of 1-Phenylethyl valerate is 206.13 g/mol.
Where can I buy 1-Phenylethyl valerate?
You can request a quote for 1-Phenylethyl valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylethyl valerate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylethyl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.