Ethyl 3-hydroxyhex-4-enoate
TL;DR: Ethyl 3-hydroxyhex-4-enoate (CAS 88973-36-8) 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 3-hydroxyhex-4-enoate
Also Known As: 4-Hexenoic acid, 3-hydroxy-, ethyl ester, 4-Hexenoic acid, 3-hydroxy-, ethyl ester, (E)-
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 0.6 |
| 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 | 88973-36-8 |
|---|---|
| SMILES | CCOC(=O)CC(C=CC)O |
| InChIKey | PCOMBRWRJCHFGG-UHFFFAOYSA-N |
Product Overview
Ethyl 3-hydroxyhex-4-enoate (CAS 88973-36-8), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: ethyl 3-hydroxyhex-4-enoate.
Chemical Property Profile of Ethyl 3-hydroxyhex-4-enoate
Property Insights of Ethyl 3-hydroxyhex-4-enoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxyhex-4-enoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxyhex-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxyhex-4-enoate 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 3-hydroxyhex-4-enoate?
The CAS number of Ethyl 3-hydroxyhex-4-enoate is 88973-36-8.
What is the molecular formula of Ethyl 3-hydroxyhex-4-enoate?
The molecular formula of Ethyl 3-hydroxyhex-4-enoate is C8H14O3.
What is the molecular weight of Ethyl 3-hydroxyhex-4-enoate?
The molecular weight of Ethyl 3-hydroxyhex-4-enoate is 158.09 g/mol.
Where can I buy Ethyl 3-hydroxyhex-4-enoate?
You can request a quote for Ethyl 3-hydroxyhex-4-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-hydroxyhex-4-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxyhex-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.