1-Vinylhexyl hexanoate
TL;DR: 1-Vinylhexyl hexanoate (CAS 94021-39-3) is a chemical compound with molecular formula C14H26O2 and molecular weight 226.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oct-1-en-3-yl hexanoate
Also Known As: 1-Vinylhexyl hexanoate, oct-1-en-3-yl hexanoate, EINECS 301-434-6, Hexanoic acid 1-ethenylhexyl ester, Hexanoic acid, 1-ethenylhexyl ester
| Molecular Formula | C14H26O2 |
|---|---|
| Molecular Weight | 226.19 g/mol |
| LogP | 4.2448 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 226.19328 |
| Heavy Atoms | 16 |
| Complexity | 187.17436 |
Chemical Identifiers
| CAS Number | 94021-39-3 |
|---|---|
| SMILES | CCCCCC(C=C)OC(=O)CCCCC |
Product Overview
1-Vinylhexyl hexanoate (CAS 94021-39-3), with molecular formula C14H26O2 and molecular weight 226.19 g/mol. IUPAC: oct-1-en-3-yl hexanoate.
Chemical Property Profile of 1-Vinylhexyl hexanoate
Property Insights of 1-Vinylhexyl hexanoate
The XLogP value of 4.2448 indicates that 1-Vinylhexyl 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, 1-Vinylhexyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Vinylhexyl 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 1-Vinylhexyl hexanoate?
The CAS number of 1-Vinylhexyl hexanoate is 94021-39-3.
What is the molecular formula of 1-Vinylhexyl hexanoate?
The molecular formula of 1-Vinylhexyl hexanoate is C14H26O2.
What is the molecular weight of 1-Vinylhexyl hexanoate?
The molecular weight of 1-Vinylhexyl hexanoate is 226.19 g/mol.
Where can I buy 1-Vinylhexyl hexanoate?
You can request a quote for 1-Vinylhexyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Vinylhexyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Vinylhexyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.