Ethyl 4-hydroxy-2-hexenoate
TL;DR: Ethyl 4-hydroxy-2-hexenoate (CAS 86452-33-7) 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 4-hydroxyhex-2-enoate
Also Known As: ethyl 4-hydroxy-2-hexenoate, ETHYL 4-HYDROXYHEX-2-ENOATE, 2-Hexenoic acid, 4-hydroxy-, ethyl ester, 2-Hexenoic acid, 4-hydroxy-, ethyl ester, (2E)-
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 86452-33-7 |
|---|---|
| SMILES | CCC(C=CC(=O)OCC)O |
| InChIKey | PLKJBIKBHWNOFH-UHFFFAOYSA-N |
Product Overview
Ethyl 4-hydroxy-2-hexenoate (CAS 86452-33-7), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: ethyl 4-hydroxyhex-2-enoate.
Chemical Property Profile of Ethyl 4-hydroxy-2-hexenoate
Property Insights of Ethyl 4-hydroxy-2-hexenoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxy-2-hexenoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 4-hydroxy-2-hexenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-2-hexenoate 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 Ethyl 4-hydroxy-2-hexenoate?
The CAS number of Ethyl 4-hydroxy-2-hexenoate is 86452-33-7.
What is the molecular formula of Ethyl 4-hydroxy-2-hexenoate?
The molecular formula of Ethyl 4-hydroxy-2-hexenoate is C8H14O3.
What is the molecular weight of Ethyl 4-hydroxy-2-hexenoate?
The molecular weight of Ethyl 4-hydroxy-2-hexenoate is 158.09 g/mol.
Where can I buy Ethyl 4-hydroxy-2-hexenoate?
You can request a quote for Ethyl 4-hydroxy-2-hexenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-hydroxy-2-hexenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxy-2-hexenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.