Hex-3-enyl 2-hydroxybenzoate
TL;DR: Hex-3-enyl 2-hydroxybenzoate (CAS 65405-77-8) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-enyl 2-hydroxybenzoate
Also Known As: cis-3-Hexenyl salicylate, 3-Hexenyl salicylate, hex-3-enyl 2-hydroxybenzoate, (E)-3-Hexenyl salicylate, cis-3-HEXENYLSALICYLATE
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 65405-77-8 |
|---|---|
| SMILES | CCC=CCCOC(=O)C1=CC=CC=C1O |
| InChIKey | IEPWIPZLLIOZLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hex-3-enyl 2-hydroxybenzoate (CAS 65405-77-8), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: hex-3-enyl 2-hydroxybenzoate.
Chemical Property Profile of Hex-3-enyl 2-hydroxybenzoate
Property Insights of Hex-3-enyl 2-hydroxybenzoate
The XLogP value of 4.4 indicates that Hex-3-enyl 2-hydroxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Hex-3-enyl 2-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-3-enyl 2-hydroxybenzoate has 1 hydrogen bond donor(s) and 3 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 Hex-3-enyl 2-hydroxybenzoate?
The CAS number of Hex-3-enyl 2-hydroxybenzoate is 65405-77-8.
What is the molecular formula of Hex-3-enyl 2-hydroxybenzoate?
The molecular formula of Hex-3-enyl 2-hydroxybenzoate is C13H16O3.
What is the molecular weight of Hex-3-enyl 2-hydroxybenzoate?
The molecular weight of Hex-3-enyl 2-hydroxybenzoate is 220.11 g/mol.
Where can I buy Hex-3-enyl 2-hydroxybenzoate?
You can request a quote for Hex-3-enyl 2-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-3-enyl 2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Hex-3-enyl 2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.