(E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester
TL;DR: (E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester (CAS 65260-58-4) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-ethoxy-2-oxobut-3-enoate
Also Known As: Ethyl 4-ethoxy-2-oxobut-3-enoate, ethyl (E)-4-ethoxy-2-oxobut-3-enoate, ETHYL (3E)-4-ETHOXY-2-OXOBUT-3-ENOATE, (E)-ethyl 4-ethoxy-2-oxobut-3-enoate, Ethyl 4-(ethyloxy)-2-oxobut-3-enoate
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.6688 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 183.49689 |
Chemical Identifiers
| CAS Number | 65260-58-4 |
|---|---|
| SMILES | CCO/C=C/C(=O)C(=O)OCC |
Product Overview
(E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester (CAS 65260-58-4), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: ethyl (E)-4-ethoxy-2-oxobut-3-enoate.
Chemical Property Profile of (E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester
Property Insights of (E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester
The XLogP value of 0.6688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, (E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester has 0 hydrogen bond donor(s) and 4 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 (E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester?
The CAS number of (E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester is 65260-58-4.
What is the molecular formula of (E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester?
The molecular formula of (E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester is C8H12O4.
What is the molecular weight of (E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester?
The molecular weight of (E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester is 172.07 g/mol.
Where can I buy (E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester?
You can request a quote for (E)-4-Ethoxy-2-oxo-but-3-enoic 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 (E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.