1-Methylhexyl octanoate
TL;DR: 1-Methylhexyl octanoate (CAS 55193-32-3) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptan-2-yl octanoate
Also Known As: 1-Methylhexyl octanoate, heptan-2-yl octanoate, 2-heptyl octanoate, 1-methylhexyloctanoate, EINECS 259-519-8
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22 g/mol |
| LogP | 4.8589 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 177.76064 |
Chemical Identifiers
| CAS Number | 55193-32-3 |
|---|---|
| SMILES | CCCCCCCC(=O)OC(C)CCCCC |
Product Overview
1-Methylhexyl octanoate (CAS 55193-32-3), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: heptan-2-yl octanoate.
Chemical Property Profile of 1-Methylhexyl octanoate
Property Insights of 1-Methylhexyl octanoate
The XLogP value of 4.8589 indicates that 1-Methylhexyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methylhexyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylhexyl octanoate 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 1-Methylhexyl octanoate?
The CAS number of 1-Methylhexyl octanoate is 55193-32-3.
What is the molecular formula of 1-Methylhexyl octanoate?
The molecular formula of 1-Methylhexyl octanoate is C15H30O2.
What is the molecular weight of 1-Methylhexyl octanoate?
The molecular weight of 1-Methylhexyl octanoate is 242.22 g/mol.
Where can I buy 1-Methylhexyl octanoate?
You can request a quote for 1-Methylhexyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylhexyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylhexyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.