Ethyl 2-(2-cyanophenylureido)acetate
TL;DR: Ethyl 2-(2-cyanophenylureido)acetate (CAS 78754-91-3) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-cyanophenyl)carbamoylamino]acetate
Also Known As: ETHYL 2-(2-CYANOPHENYLUREIDO)ACETATE, Ethyl 2-[(2-cyanophenyl)carbamoylamino]acetate, 2-(3-ethoxycarbonylmethylureido)benzonitrile, ethyl 2-{[(2-cyanophenyl)carbamoyl]amino}acetate, 668-660-8
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 1.24288 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 479.70114 |
Chemical Identifiers
| CAS Number | 78754-91-3 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)NC1=CC=CC=C1C#N |
Product Overview
Ethyl 2-(2-cyanophenylureido)acetate (CAS 78754-91-3), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: ethyl 2-[(2-cyanophenyl)carbamoylamino]acetate.
Chemical Property Profile of Ethyl 2-(2-cyanophenylureido)acetate
Property Insights of Ethyl 2-(2-cyanophenylureido)acetate
The XLogP value of 1.24288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-cyanophenylureido)acetate. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-cyanophenylureido)acetate. Following Lipinski's Rule of Five, Ethyl 2-(2-cyanophenylureido)acetate has 2 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-cyanophenylureido)acetate?
The CAS number of Ethyl 2-(2-cyanophenylureido)acetate is 78754-91-3.
What is the molecular formula of Ethyl 2-(2-cyanophenylureido)acetate?
The molecular formula of Ethyl 2-(2-cyanophenylureido)acetate is C12H13N3O3.
What is the molecular weight of Ethyl 2-(2-cyanophenylureido)acetate?
The molecular weight of Ethyl 2-(2-cyanophenylureido)acetate is 247.10 g/mol.
Where can I buy Ethyl 2-(2-cyanophenylureido)acetate?
You can request a quote for Ethyl 2-(2-cyanophenylureido)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-cyanophenylureido)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-cyanophenylureido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.