Octyl valerate
TL;DR: Octyl valerate (CAS 5451-85-4) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl pentanoate
Also Known As: Octyl valerate, Octyl pentanoate, Pentanoic acid, octyl ester, Valeric acid, octyl ester, Octyl pentanoate #
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 5451-85-4 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCCC |
| InChIKey | OUYCCOBIJYUMAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl valerate (CAS 5451-85-4), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: octyl pentanoate.
Chemical Property Profile of Octyl valerate
Property Insights of Octyl valerate
The XLogP value of 4.8 indicates that Octyl 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, Octyl valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 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 Octyl valerate?
The CAS number of Octyl valerate is 5451-85-4.
What is the molecular formula of Octyl valerate?
The molecular formula of Octyl valerate is C13H26O2.
What is the molecular weight of Octyl valerate?
The molecular weight of Octyl valerate is 214.19 g/mol.
Where can I buy Octyl valerate?
You can request a quote for Octyl valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl valerate?
Yes, KEHONG BIO provides custom synthesis services for Octyl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.