cis-3-Hexenyl butanoate
TL;DR: cis-3-Hexenyl butanoate (CAS 16491-42-2) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-hex-3-enyl] butanoate
Also Known As: cis-3-Hexenyl butyrate, (Z)-3-hexenyl butyrate, (Z)-Hex-3-enyl butyrate, (Z)-Hex-3-en-1-yl butyrate, cis-3-Hexen-1-yl butyrate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.686 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 138.774 |
Chemical Identifiers
| CAS Number | 16491-42-2 |
|---|---|
| SMILES | CCCC(=O)OCC/C=C\CC |
Product Overview
cis-3-Hexenyl butanoate (CAS 16491-42-2), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: [(Z)-hex-3-enyl] butanoate.
Chemical Property Profile of cis-3-Hexenyl butanoate
Property Insights of cis-3-Hexenyl butanoate
The XLogP value of 2.686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-3-Hexenyl butanoate. With a topological polar surface area (TPSA) of 26.3 Ų, cis-3-Hexenyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-3-Hexenyl butanoate 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 cis-3-Hexenyl butanoate?
The CAS number of cis-3-Hexenyl butanoate is 16491-42-2.
What is the molecular formula of cis-3-Hexenyl butanoate?
The molecular formula of cis-3-Hexenyl butanoate is C10H18O2.
What is the molecular weight of cis-3-Hexenyl butanoate?
The molecular weight of cis-3-Hexenyl butanoate is 170.13 g/mol.
Where can I buy cis-3-Hexenyl butanoate?
You can request a quote for cis-3-Hexenyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-3-Hexenyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for cis-3-Hexenyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.