Ethyl 4-cyanobenzoylformate
TL;DR: Ethyl 4-cyanobenzoylformate (CAS 302912-31-8) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-cyanophenyl)-2-oxoacetate
Also Known As: Ethyl 4-cyanobenzoylformate, ethyl 2-(4-cyanophenyl)-2-oxoacetate, Ethyl4-cyanobenzoylformate, Ethyl-4-Cyanobenzoylformate, ethyl (4-cyanophenyl)(oxo)acetate
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.30408 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 414.4543 |
Chemical Identifiers
| CAS Number | 302912-31-8 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC=C(C=C1)C#N |
Product Overview
Ethyl 4-cyanobenzoylformate (CAS 302912-31-8), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: ethyl 2-(4-cyanophenyl)-2-oxoacetate.
Chemical Property Profile of Ethyl 4-cyanobenzoylformate
Property Insights of Ethyl 4-cyanobenzoylformate
The XLogP value of 1.30408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-cyanobenzoylformate. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-cyanobenzoylformate. Following Lipinski's Rule of Five, Ethyl 4-cyanobenzoylformate 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 4-cyanobenzoylformate?
The CAS number of Ethyl 4-cyanobenzoylformate is 302912-31-8.
What is the molecular formula of Ethyl 4-cyanobenzoylformate?
The molecular formula of Ethyl 4-cyanobenzoylformate is C11H9NO3.
What is the molecular weight of Ethyl 4-cyanobenzoylformate?
The molecular weight of Ethyl 4-cyanobenzoylformate is 203.06 g/mol.
Where can I buy Ethyl 4-cyanobenzoylformate?
You can request a quote for Ethyl 4-cyanobenzoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-cyanobenzoylformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-cyanobenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.