Hexyl valerate
TL;DR: Hexyl valerate (CAS 1117-59-5) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl pentanoate
Also Known As: Hexyl valerate, Hexyl pentanoate, Hexyl n-valerate, Hexyl valerianate, 1-Hexyl n-valerate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 1117-59-5 |
|---|---|
| SMILES | CCCCCCOC(=O)CCCC |
| InChIKey | YERFHJZYNMRVLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl valerate (CAS 1117-59-5), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: hexyl pentanoate.
Chemical Property Profile of Hexyl valerate
Property Insights of Hexyl valerate
The XLogP value of 3.8 indicates that Hexyl 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, Hexyl valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 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 Hexyl valerate?
The CAS number of Hexyl valerate is 1117-59-5.
What is the molecular formula of Hexyl valerate?
The molecular formula of Hexyl valerate is C11H22O2.
What is the molecular weight of Hexyl valerate?
The molecular weight of Hexyl valerate is 186.16 g/mol.
Where can I buy Hexyl valerate?
You can request a quote for Hexyl valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl valerate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.