Hex-2-enyl hexanoate
TL;DR: Hex-2-enyl hexanoate (CAS 53398-86-0) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-2-enyl hexanoate
Also Known As: hex-2-enyl hexanoate, trans-2-Hexenyl Hexanoate, 2-Hexenyl hexanoate, (E)-2-Hexenyl hexanoate, trans-2-Hexenyl caproate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 53398-86-0 |
|---|---|
| SMILES | CCCCCC(=O)OCC=CCCC |
| InChIKey | UQPLEMTXCSYMEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hex-2-enyl hexanoate (CAS 53398-86-0), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: hex-2-enyl hexanoate.
Chemical Property Profile of Hex-2-enyl hexanoate
Property Insights of Hex-2-enyl hexanoate
The XLogP value of 3.9 indicates that Hex-2-enyl 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, Hex-2-enyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-2-enyl 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 Hex-2-enyl hexanoate?
The CAS number of Hex-2-enyl hexanoate is 53398-86-0.
What is the molecular formula of Hex-2-enyl hexanoate?
The molecular formula of Hex-2-enyl hexanoate is C12H22O2.
What is the molecular weight of Hex-2-enyl hexanoate?
The molecular weight of Hex-2-enyl hexanoate is 198.16 g/mol.
Where can I buy Hex-2-enyl hexanoate?
You can request a quote for Hex-2-enyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-2-enyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Hex-2-enyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.