Ethyl 3-(4-Cyanophenyl)-3-oxopropionate
TL;DR: Ethyl 3-(4-Cyanophenyl)-3-oxopropionate (CAS 62088-13-5) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-cyanophenyl)-3-oxopropanoate
Also Known As: ethyl 3-(4-cyanophenyl)-3-oxopropanoate, ethyl (4-cyanobenzoyl)acetate, ethyl 3-(4-cyanophenyl)-3-oxopropionate, 3-(4-Cyano-phenyl)-3-oxo-propionic acid ethyl ester, 6750AB
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.69418 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 428.57224 |
Chemical Identifiers
| CAS Number | 62088-13-5 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)C#N |
Product Overview
Ethyl 3-(4-Cyanophenyl)-3-oxopropionate (CAS 62088-13-5), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: ethyl 3-(4-cyanophenyl)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-(4-Cyanophenyl)-3-oxopropionate
Property Insights of Ethyl 3-(4-Cyanophenyl)-3-oxopropionate
The XLogP value of 1.69418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-Cyanophenyl)-3-oxopropionate. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-Cyanophenyl)-3-oxopropionate. Following Lipinski's Rule of Five, Ethyl 3-(4-Cyanophenyl)-3-oxopropionate 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 Ethyl 3-(4-Cyanophenyl)-3-oxopropionate?
The CAS number of Ethyl 3-(4-Cyanophenyl)-3-oxopropionate is 62088-13-5.
What is the molecular formula of Ethyl 3-(4-Cyanophenyl)-3-oxopropionate?
The molecular formula of Ethyl 3-(4-Cyanophenyl)-3-oxopropionate is C12H11NO3.
What is the molecular weight of Ethyl 3-(4-Cyanophenyl)-3-oxopropionate?
The molecular weight of Ethyl 3-(4-Cyanophenyl)-3-oxopropionate is 217.07 g/mol.
Where can I buy Ethyl 3-(4-Cyanophenyl)-3-oxopropionate?
You can request a quote for Ethyl 3-(4-Cyanophenyl)-3-oxopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-Cyanophenyl)-3-oxopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-Cyanophenyl)-3-oxopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.