Hexyl 3-phenylpropanoate
TL;DR: Hexyl 3-phenylpropanoate (CAS 6281-40-9) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 3-phenylpropanoate
Also Known As: Hexyl 3-phenylpropanoate, Hexyl dihydrocinnamate, Hexyl 3-phenylpropanoate #, Benzenepropanoic acid, hexyl ester, Benzenepropanoic acid hexyl ester
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 6281-40-9 |
|---|---|
| SMILES | CCCCCCOC(=O)CCC1=CC=CC=C1 |
| InChIKey | QEZQCYPWLDTKCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl 3-phenylpropanoate (CAS 6281-40-9), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: hexyl 3-phenylpropanoate.
Chemical Property Profile of Hexyl 3-phenylpropanoate
Property Insights of Hexyl 3-phenylpropanoate
The XLogP value of 4.7 indicates that Hexyl 3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl 3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 3-phenylpropanoate 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 Hexyl 3-phenylpropanoate?
The CAS number of Hexyl 3-phenylpropanoate is 6281-40-9.
What is the molecular formula of Hexyl 3-phenylpropanoate?
The molecular formula of Hexyl 3-phenylpropanoate is C15H22O2.
What is the molecular weight of Hexyl 3-phenylpropanoate?
The molecular weight of Hexyl 3-phenylpropanoate is 234.16 g/mol.
Where can I buy Hexyl 3-phenylpropanoate?
You can request a quote for Hexyl 3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.