3-Hexenyl butyrate, (3E)-
TL;DR: 3-Hexenyl butyrate, (3E)- (CAS 2142-93-0) 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.
[(E)-hex-3-enyl] butanoate
Also Known As: 3-Hexenyl butyrate, (E)-3-Hexenyl butanoate, (E)-3-Hexenyl butyrate, (E)-Hex-3-enyl butyrate, trans-3-Hexenyl 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 | 2142-93-0 |
|---|---|
| SMILES | CCCC(=O)OCC/C=C/CC |
Product Overview
3-Hexenyl butyrate, (3E)- (CAS 2142-93-0), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: [(E)-hex-3-enyl] butanoate.
Chemical Property Profile of 3-Hexenyl butyrate, (3E)-
Property Insights of 3-Hexenyl butyrate, (3E)-
The XLogP value of 2.686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexenyl butyrate, (3E)-. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Hexenyl butyrate, (3E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexenyl butyrate, (3E)- 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 3-Hexenyl butyrate, (3E)-?
The CAS number of 3-Hexenyl butyrate, (3E)- is 2142-93-0.
What is the molecular formula of 3-Hexenyl butyrate, (3E)-?
The molecular formula of 3-Hexenyl butyrate, (3E)- is C10H18O2.
What is the molecular weight of 3-Hexenyl butyrate, (3E)-?
The molecular weight of 3-Hexenyl butyrate, (3E)- is 170.13 g/mol.
Where can I buy 3-Hexenyl butyrate, (3E)-?
You can request a quote for 3-Hexenyl butyrate, (3E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexenyl butyrate, (3E)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexenyl butyrate, (3E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.