Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate
TL;DR: Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate (CAS 57445-62-2) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate
Also Known As: ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate, b-cyano-4-ethoxy-a-oxo-benzenepropanoic acid ethyl ester
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 1.82468 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 487.1626 |
Chemical Identifiers
| CAS Number | 57445-62-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(C#N)C(=O)C(=O)OCC |
Product Overview
Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate (CAS 57445-62-2), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate.
Chemical Property Profile of Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate
Property Insights of Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate
The XLogP value of 1.82468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate has 0 hydrogen bond donor(s) and 5 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-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate?
The CAS number of Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate is 57445-62-2.
What is the molecular formula of Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate?
The molecular formula of Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate is C14H15NO4.
What is the molecular weight of Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate?
The molecular weight of Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate is 261.10 g/mol.
Where can I buy Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate?
You can request a quote for Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-3-(4-ethoxyphenyl)-2-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.