1-(4-Chlorophenyl)-3-cyanourea
TL;DR: 1-(4-Chlorophenyl)-3-cyanourea (CAS 115956-45-1) is a chemical compound with molecular formula C8H6ClN3O and molecular weight 195.01994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-3-cyanourea
Also Known As: N-(4-chlorophenyl)-N'-cyanourea, 1-(4-chlorophenyl)-3-cyanourea, N-(4-Chlorophenyl)-N'-cyano urea, 1-(4-chlorophenyl)-3-cyano-urea, 9674AC
Technical Specifications
| Molecular Formula | C8H6ClN3O |
| Molecular Weight | 195.01994 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.01994 Da |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
| SMILES | C1=CC(=CC=C1NC(=O)NC#N)Cl |
| InChIKey | IHUHHIXEUQJMFN-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Chlorophenyl)-3-cyanourea
Property Insights of 1-(4-Chlorophenyl)-3-cyanourea
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-3-cyanourea. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)-3-cyanourea. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-cyanourea 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 1-(4-Chlorophenyl)-3-cyanourea?
The CAS number of 1-(4-Chlorophenyl)-3-cyanourea is 115956-45-1.
What is the molecular formula of 1-(4-Chlorophenyl)-3-cyanourea?
The molecular formula of 1-(4-Chlorophenyl)-3-cyanourea is C8H6ClN3O.
What is the molecular weight of 1-(4-Chlorophenyl)-3-cyanourea?
The molecular weight of 1-(4-Chlorophenyl)-3-cyanourea is 195.01994 g/mol.
Where can I buy 1-(4-Chlorophenyl)-3-cyanourea?
You can request a quote for 1-(4-Chlorophenyl)-3-cyanourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Chlorophenyl)-3-cyanourea?
Yes, CoreyChem provides custom synthesis services for 1-(4-Chlorophenyl)-3-cyanourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.