But-2-enoic acid hex-3-enyl ester
TL;DR: But-2-enoic acid hex-3-enyl ester (CAS 65405-80-3) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-enyl but-2-enoate
Also Known As: cis-3-Hexenyl crotonate, (E)-3-Hexenyl crotonate, cis-3-Hexen-1-yl Crotonate, hex-3-enyl but-2-enoate, Hex-3-en-1-yl but-2-enoate
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 65405-80-3 |
|---|---|
| SMILES | CCC=CCCOC(=O)C=CC |
| InChIKey | KITGYVIOYOCIIE-UHFFFAOYSA-N |
Product Overview
But-2-enoic acid hex-3-enyl ester (CAS 65405-80-3), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: hex-3-enyl but-2-enoate.
Chemical Property Profile of But-2-enoic acid hex-3-enyl ester
Property Insights of But-2-enoic acid hex-3-enyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-enoic acid hex-3-enyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, But-2-enoic acid hex-3-enyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, But-2-enoic acid hex-3-enyl ester 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 But-2-enoic acid hex-3-enyl ester?
The CAS number of But-2-enoic acid hex-3-enyl ester is 65405-80-3.
What is the molecular formula of But-2-enoic acid hex-3-enyl ester?
The molecular formula of But-2-enoic acid hex-3-enyl ester is C10H16O2.
What is the molecular weight of But-2-enoic acid hex-3-enyl ester?
The molecular weight of But-2-enoic acid hex-3-enyl ester is 168.12 g/mol.
Where can I buy But-2-enoic acid hex-3-enyl ester?
You can request a quote for But-2-enoic acid hex-3-enyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-enoic acid hex-3-enyl ester?
Yes, KEHONG BIO provides custom synthesis services for But-2-enoic acid hex-3-enyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.