Ethyl 3-hydroxypent-4-enoate
TL;DR: Ethyl 3-hydroxypent-4-enoate (CAS 38996-01-9) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxypent-4-enoate
Also Known As: ethyl 3-hydroxypent-4-enoate, Ethyl 3-hydroxy-4-pentenoate, 4-Pentenoic acid, 3-hydroxy-, ethyl ester, ethyl3-hydroxypent-4-enoate, Aethyl-3-hydroxy-4-pentenat
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 38996-01-9 |
|---|---|
| SMILES | CCOC(=O)CC(C=C)O |
| InChIKey | QTFCTAJBDSTPSR-UHFFFAOYSA-N |
Product Overview
Ethyl 3-hydroxypent-4-enoate (CAS 38996-01-9), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: ethyl 3-hydroxypent-4-enoate.
Chemical Property Profile of Ethyl 3-hydroxypent-4-enoate
Property Insights of Ethyl 3-hydroxypent-4-enoate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxypent-4-enoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxypent-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxypent-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-hydroxypent-4-enoate?
The CAS number of Ethyl 3-hydroxypent-4-enoate is 38996-01-9.
What is the molecular formula of Ethyl 3-hydroxypent-4-enoate?
The molecular formula of Ethyl 3-hydroxypent-4-enoate is C7H12O3.
What is the molecular weight of Ethyl 3-hydroxypent-4-enoate?
The molecular weight of Ethyl 3-hydroxypent-4-enoate is 144.08 g/mol.
Where can I buy Ethyl 3-hydroxypent-4-enoate?
You can request a quote for Ethyl 3-hydroxypent-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-hydroxypent-4-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxypent-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.