Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate
TL;DR: Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate (CAS 104504-38-3) is a chemical compound with molecular formula C21H20N2O4 and molecular weight 364.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate
Also Known As: ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate, N-Acetyl-alpha-cyano-p-benzoyl-D,L-phenylalanine Ethyl Ester, N-Acetyl-, A-cyano-p-benzoyl-D,L-phenylalanine Ethyl Ester, N-Acetyl-alpha-cyano-p-benzoyl-D,L-phenylalanine, Ethyl Ester
| Molecular Formula | C21H20N2O4 |
|---|---|
| Molecular Weight | 364.14 g/mol |
| LogP | 2.42168 |
| Topological Polar Surface Area | 96.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.1423 |
| Heavy Atoms | 27 |
| Complexity | 869.3047 |
Chemical Identifiers
| CAS Number | 104504-38-3 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)(C#N)NC(=O)C |
Product Overview
Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate (CAS 104504-38-3), with molecular formula C21H20N2O4 and molecular weight 364.14 g/mol. IUPAC: ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate.
Chemical Property Profile of Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate
Property Insights of Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate
The XLogP value of 2.42168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate. The TPSA of 96.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate. Following Lipinski's Rule of Five, Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate has 1 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 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate?
The CAS number of Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate is 104504-38-3.
What is the molecular formula of Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate?
The molecular formula of Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate is C21H20N2O4.
What is the molecular weight of Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate?
The molecular weight of Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate is 364.14 g/mol.
Where can I buy Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate?
You can request a quote for Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.