Ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate
TL;DR: Ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate (CAS 41339-41-7) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate
Also Known As: ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate, ethyl 3-cyano-3-(p-methoxyphenyl)pyruvate, ethyl 3-cyano-3-(p-methoxyphenyl)-pyruvate, ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxo-propanoate, b-cyano-4-methoxy-a-oxo-benzenepropanoic acid ethyl ester
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.43458 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 472.75977 |
Chemical Identifiers
| CAS Number | 41339-41-7 |
|---|---|
| SMILES | CCOC(=O)C(=O)C(C#N)C1=CC=C(C=C1)OC |
Product Overview
Ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate (CAS 41339-41-7), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate.
Chemical Property Profile of Ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate
Property Insights of Ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate
The XLogP value of 1.43458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-cyano-3-(4-methoxyphenyl)-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-methoxyphenyl)-2-oxopropanoate?
The CAS number of Ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate is 41339-41-7.
What is the molecular formula of Ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate?
The molecular formula of Ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate is C13H13NO4.
What is the molecular weight of Ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate?
The molecular weight of Ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate is 247.08 g/mol.
Where can I buy Ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate?
You can request a quote for Ethyl 3-cyano-3-(4-methoxyphenyl)-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-methoxyphenyl)-2-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-3-(4-methoxyphenyl)-2-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.