Ethyl 3-hexenoate
TL;DR: Ethyl 3-hexenoate (CAS 64187-83-3) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-hex-3-enoate
Also Known As: Ethyl hex-3-enoate, ETHYL 3-HEXENOATE, Ethyl trans-3-hexenoate, ethyl (E)-hex-3-enoate, Ethyl hydrosorbate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.9058 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 116.426 |
Chemical Identifiers
| CAS Number | 64187-83-3 |
|---|---|
| SMILES | CC/C=C/CC(=O)OCC |
Product Overview
Ethyl 3-hexenoate (CAS 64187-83-3), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: ethyl (E)-hex-3-enoate.
Chemical Property Profile of Ethyl 3-hexenoate
Property Insights of Ethyl 3-hexenoate
The XLogP value of 1.9058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hexenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-hexenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hexenoate 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 Ethyl 3-hexenoate?
The CAS number of Ethyl 3-hexenoate is 64187-83-3.
What is the molecular formula of Ethyl 3-hexenoate?
The molecular formula of Ethyl 3-hexenoate is C8H14O2.
What is the molecular weight of Ethyl 3-hexenoate?
The molecular weight of Ethyl 3-hexenoate is 142.10 g/mol.
Where can I buy Ethyl 3-hexenoate?
You can request a quote for Ethyl 3-hexenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-hexenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hexenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.