Ethyl 4-(2-cyanoacetamido)benzoate
TL;DR: Ethyl 4-(2-cyanoacetamido)benzoate (CAS 15029-53-5) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-cyanoacetyl)amino]benzoate
Also Known As: ethyl 4-(2-cyanoacetamido)benzoate, ethyl 4-[(cyanoacetyl)amino]benzoate, 4-(2-Cyano-acetylamino)-benzoic acid ethyl ester, ethyl 4-[(2-cyanoacetyl)amino]benzoate, (1-Thio-D-glucopyranosato)gold
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.71548 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 445.8137 |
Chemical Identifiers
| CAS Number | 15029-53-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC#N |
Product Overview
Ethyl 4-(2-cyanoacetamido)benzoate (CAS 15029-53-5), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: ethyl 4-[(2-cyanoacetyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-(2-cyanoacetamido)benzoate
Property Insights of Ethyl 4-(2-cyanoacetamido)benzoate
The XLogP value of 1.71548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-cyanoacetamido)benzoate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-cyanoacetamido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(2-cyanoacetamido)benzoate has 1 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-(2-cyanoacetamido)benzoate?
The CAS number of Ethyl 4-(2-cyanoacetamido)benzoate is 15029-53-5.
What is the molecular formula of Ethyl 4-(2-cyanoacetamido)benzoate?
The molecular formula of Ethyl 4-(2-cyanoacetamido)benzoate is C12H12N2O3.
What is the molecular weight of Ethyl 4-(2-cyanoacetamido)benzoate?
The molecular weight of Ethyl 4-(2-cyanoacetamido)benzoate is 232.08 g/mol.
Where can I buy Ethyl 4-(2-cyanoacetamido)benzoate?
You can request a quote for Ethyl 4-(2-cyanoacetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2-cyanoacetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-cyanoacetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.