Phenethyl valerate
TL;DR: Phenethyl valerate (CAS 7460-74-4) 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.
2-phenylethyl pentanoate
Also Known As: Phenethyl valerate, 2-Phenylethyl pentanoate, Phenylethyl valerate, phenethyl pentanoate, 2-Phenethyl pentanoate
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.7 |
| 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 |
| Boiling Point | 268.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 7460-74-4 |
|---|---|
| SMILES | CCCCC(=O)OCCC1=CC=CC=C1 |
| InChIKey | PDGPIBIURNPBSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethyl valerate (CAS 7460-74-4), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 2-phenylethyl pentanoate.
Chemical Property Profile of Phenethyl valerate
Property Insights of Phenethyl valerate
The XLogP value of 3.7 indicates that Phenethyl 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, Phenethyl valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl 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 Phenethyl valerate?
The CAS number of Phenethyl valerate is 7460-74-4.
What is the molecular formula of Phenethyl valerate?
The molecular formula of Phenethyl valerate is C13H18O2.
What is the molecular weight of Phenethyl valerate?
The molecular weight of Phenethyl valerate is 206.13 g/mol.
Where can I buy Phenethyl valerate?
You can request a quote for Phenethyl valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl valerate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.