N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea
TL;DR: N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea (CAS 162478-62-8) is a chemical compound with molecular formula C10H10ClN3O and molecular weight 223.05124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-(4-cyanophenyl)urea
Also Known As: N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea, 1-(2-chloroethyl)-3-(4-cyanophenyl)urea, chloroethylcyanophenylurea, NCIOpen2_004285, 3-(2-chloroethyl)-1-(4-cyanophenyl)urea
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10ClN3O |
| Molecular Weight | 223.05124 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.05124 Da |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
| SMILES | C1=CC(=CC=C1C#N)NC(=O)NCCCl |
| InChIKey | DMHSQTUNXMNMTH-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea
Property Insights of N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea?
The CAS number of N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea is 162478-62-8.
What is the molecular formula of N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea?
The molecular formula of N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea is C10H10ClN3O.
What is the molecular weight of N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea?
The molecular weight of N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea is 223.05124 g/mol.
Where can I buy N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea?
You can request a quote for N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea?
Yes, CoreyChem provides custom synthesis services for N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.