Ethyl 2-(2-cyanoanilino)acetate
TL;DR: Ethyl 2-(2-cyanoanilino)acetate (CAS 87223-76-5) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-cyanoanilino)acetate
Also Known As: ethyl 2-(2-cyanoanilino)acetate, ethylcyanoanilinoacetate, ETHYL2- ACETATE, ethyl 2-[(2-cyanophenyl)amino]acetate, Bionet2_000234
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 1.53328 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 382.41946 |
Chemical Identifiers
| CAS Number | 87223-76-5 |
|---|---|
| SMILES | CCOC(=O)CNC1=CC=CC=C1C#N |
Product Overview
Ethyl 2-(2-cyanoanilino)acetate (CAS 87223-76-5), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: ethyl 2-(2-cyanoanilino)acetate.
Chemical Property Profile of Ethyl 2-(2-cyanoanilino)acetate
Property Insights of Ethyl 2-(2-cyanoanilino)acetate
The XLogP value of 1.53328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-cyanoanilino)acetate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-cyanoanilino)acetate. Following Lipinski's Rule of Five, Ethyl 2-(2-cyanoanilino)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-(2-cyanoanilino)acetate?
The CAS number of Ethyl 2-(2-cyanoanilino)acetate is 87223-76-5.
What is the molecular formula of Ethyl 2-(2-cyanoanilino)acetate?
The molecular formula of Ethyl 2-(2-cyanoanilino)acetate is C11H12N2O2.
What is the molecular weight of Ethyl 2-(2-cyanoanilino)acetate?
The molecular weight of Ethyl 2-(2-cyanoanilino)acetate is 204.09 g/mol.
Where can I buy Ethyl 2-(2-cyanoanilino)acetate?
You can request a quote for Ethyl 2-(2-cyanoanilino)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-(2-cyanoanilino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-cyanoanilino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.