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Ethyl [(2-cyanophenyl)amino](oxo)acetate
TL;DR: Ethyl [(2-cyanophenyl)amino](oxo)acetate (CAS 54249-43-3) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-cyanoanilino)-2-oxoacetate
Also Known As: ethyl [(2-cyanophenyl)carbamoyl]formate, ethyl [(2-cyanophenyl)amino](oxo)acetate, 2'-Cyanooxanilsaeure-ethylester, Ethyl (2-cyanoanilino)(oxo)acetate, ethyl 2-(2-cyanoanilino)-2-oxoacetate
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 54249-43-3 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=CC=CC=C1C#N |
| InChIKey | LYNISAGITOKJKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl [(2-cyanophenyl)amino](oxo)acetate (CAS 54249-43-3), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: ethyl 2-(2-cyanoanilino)-2-oxoacetate.
Chemical Property Profile of Ethyl [(2-cyanophenyl)amino](oxo)acetate
Property Insights of Ethyl [(2-cyanophenyl)amino](oxo)acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(2-cyanophenyl)amino](oxo)acetate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(2-cyanophenyl)amino](oxo)acetate. Following Lipinski's Rule of Five, Ethyl [(2-cyanophenyl)amino](oxo)acetate 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 [(2-cyanophenyl)amino](oxo)acetate?
The CAS number of Ethyl [(2-cyanophenyl)amino](oxo)acetate is 54249-43-3.
What is the molecular formula of Ethyl [(2-cyanophenyl)amino](oxo)acetate?
The molecular formula of Ethyl [(2-cyanophenyl)amino](oxo)acetate is C11H10N2O3.
What is the molecular weight of Ethyl [(2-cyanophenyl)amino](oxo)acetate?
The molecular weight of Ethyl [(2-cyanophenyl)amino](oxo)acetate is 218.07 g/mol.
Where can I buy Ethyl [(2-cyanophenyl)amino](oxo)acetate?
You can request a quote for Ethyl [(2-cyanophenyl)amino](oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(2-cyanophenyl)amino](oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(2-cyanophenyl)amino](oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.