Phenethyl hexanoate
TL;DR: Phenethyl hexanoate (CAS 6290-37-5) 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.
2-phenylethyl hexanoate
Also Known As: 2-Phenylethyl hexanoate, PHENETHYL HEXANOATE, 2-Phenethyl hexanoate, Phenylethyl caproate, Phenethyl caproate
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 183.0 |
| Density | 0.969-0.980 |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.480-1.488 |
Chemical Identifiers
| CAS Number | 6290-37-5 |
|---|---|
| SMILES | CCCCCC(=O)OCCC1=CC=CC=C1 |
| InChIKey | BUYNWUMUDHPPDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethyl hexanoate (CAS 6290-37-5), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 2-phenylethyl hexanoate.
Chemical Property Profile of Phenethyl hexanoate
Property Insights of Phenethyl hexanoate
The XLogP value of 4.2 indicates that Phenethyl hexanoate 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 hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl hexanoate 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 hexanoate?
The CAS number of Phenethyl hexanoate is 6290-37-5.
What is the molecular formula of Phenethyl hexanoate?
The molecular formula of Phenethyl hexanoate is C14H20O2.
What is the molecular weight of Phenethyl hexanoate?
The molecular weight of Phenethyl hexanoate is 220.15 g/mol.
Where can I buy Phenethyl hexanoate?
You can request a quote for Phenethyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.