4-Hydroxy-2-hexenoic acid, ethyl ester
TL;DR: 4-Hydroxy-2-hexenoic acid, ethyl ester (CAS 61454-95-3) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-hydroxyhex-2-enoate
Also Known As: ethyl (E)-4-hydroxyhex-2-enoate, Ethyl (2E)-4-hydroxy-2-hexenoate, ETHYL 4-HYDROXYHEX-2-ENOATE, Ethyl (2E)-4-hydroxy-2-hexenoate #, 4-Hydroxy-2-hexenoic acid, ethyl ester
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 0.8766 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 140.2726 |
Chemical Identifiers
| CAS Number | 61454-95-3 |
|---|---|
| SMILES | CCC(/C=C/C(=O)OCC)O |
Product Overview
4-Hydroxy-2-hexenoic acid, ethyl ester (CAS 61454-95-3), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: ethyl (E)-4-hydroxyhex-2-enoate.
Chemical Property Profile of 4-Hydroxy-2-hexenoic acid, ethyl ester
Property Insights of 4-Hydroxy-2-hexenoic acid, ethyl ester
The XLogP value of 0.8766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2-hexenoic acid, ethyl ester. With a topological polar surface area (TPSA) of 46.53 Ų, 4-Hydroxy-2-hexenoic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-2-hexenoic acid, ethyl ester has 1 hydrogen bond donor(s) and 3 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 4-Hydroxy-2-hexenoic acid, ethyl ester?
The CAS number of 4-Hydroxy-2-hexenoic acid, ethyl ester is 61454-95-3.
What is the molecular formula of 4-Hydroxy-2-hexenoic acid, ethyl ester?
The molecular formula of 4-Hydroxy-2-hexenoic acid, ethyl ester is C8H14O3.
What is the molecular weight of 4-Hydroxy-2-hexenoic acid, ethyl ester?
The molecular weight of 4-Hydroxy-2-hexenoic acid, ethyl ester is 158.09 g/mol.
Where can I buy 4-Hydroxy-2-hexenoic acid, ethyl ester?
You can request a quote for 4-Hydroxy-2-hexenoic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2-hexenoic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-hexenoic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.