beta-Hydroxyacrylic acid ethyl ester
TL;DR: beta-Hydroxyacrylic acid ethyl ester (CAS 89579-67-9) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxyprop-2-enoate
Also Known As: ethyl 3-hydroxyacrylate, Sodium ethyl 3-oxidoacrylate, ethyl 3-hydroxyprop-2-enoate, beta-hydroxyacrylic acid ethyl ester, 3-hydroxyacrylic acid ethyl ester
| Molecular Formula | C5H8O3 |
|---|---|
| Molecular Weight | 116.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.04734 |
| Heavy Atoms | 8 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 89579-67-9 |
|---|---|
| SMILES | CCOC(=O)C=CO |
| InChIKey | NINSPLAPBBAHEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Hydroxyacrylic acid ethyl ester (CAS 89579-67-9), with molecular formula C5H8O3 and molecular weight 116.05 g/mol. IUPAC: ethyl 3-hydroxyprop-2-enoate.
Chemical Property Profile of beta-Hydroxyacrylic acid ethyl ester
Property Insights of beta-Hydroxyacrylic acid ethyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Hydroxyacrylic acid ethyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, beta-Hydroxyacrylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Hydroxyacrylic 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 beta-Hydroxyacrylic acid ethyl ester?
The CAS number of beta-Hydroxyacrylic acid ethyl ester is 89579-67-9.
What is the molecular formula of beta-Hydroxyacrylic acid ethyl ester?
The molecular formula of beta-Hydroxyacrylic acid ethyl ester is C5H8O3.
What is the molecular weight of beta-Hydroxyacrylic acid ethyl ester?
The molecular weight of beta-Hydroxyacrylic acid ethyl ester is 116.05 g/mol.
Where can I buy beta-Hydroxyacrylic acid ethyl ester?
You can request a quote for beta-Hydroxyacrylic 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 beta-Hydroxyacrylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Hydroxyacrylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.