Octyl (S)-2-methylvalerate
TL;DR: Octyl (S)-2-methylvalerate (CAS 51183-44-9) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-methylpentanoate
Also Known As: octyl 2-methylpentanoate, Octyl (S)-2-methylvalerate, sec-Butyl-octyl-aether, EINECS 257-037-2
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 4.3263 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 166.11827 |
Chemical Identifiers
| CAS Number | 51183-44-9 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(C)CCC |
Product Overview
Octyl (S)-2-methylvalerate (CAS 51183-44-9), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: octyl 2-methylpentanoate.
Chemical Property Profile of Octyl (S)-2-methylvalerate
Property Insights of Octyl (S)-2-methylvalerate
The XLogP value of 4.3263 indicates that Octyl (S)-2-methylvalerate 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 (S)-2-methylvalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl (S)-2-methylvalerate 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 (S)-2-methylvalerate?
The CAS number of Octyl (S)-2-methylvalerate is 51183-44-9.
What is the molecular formula of Octyl (S)-2-methylvalerate?
The molecular formula of Octyl (S)-2-methylvalerate is C14H28O2.
What is the molecular weight of Octyl (S)-2-methylvalerate?
The molecular weight of Octyl (S)-2-methylvalerate is 228.21 g/mol.
Where can I buy Octyl (S)-2-methylvalerate?
You can request a quote for Octyl (S)-2-methylvalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl (S)-2-methylvalerate?
Yes, KEHONG BIO provides custom synthesis services for Octyl (S)-2-methylvalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.