1-(4-Cyanophenyl)-3-(P-tolyl)urea
TL;DR: 1-(4-Cyanophenyl)-3-(P-tolyl)urea (CAS 107676-57-3) is a chemical compound with molecular formula C15H13N3O and molecular weight 251.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-cyanophenyl)-3-(4-methylphenyl)urea
Also Known As: 1-(4-Cyanophenyl)-3-(p-tolyl)urea, 1-(4-cyanophenyl)-3-(4-methylphenyl)urea, 3-(4-cyanophenyl)-1-(4-methylphenyl)urea, N-(4-cyanophenyl)[(4-methylphenyl)amino]carboxamide, 668-713-5
Technical Specifications
| Molecular Formula | C15H13N3O |
| Molecular Weight | 251.10587 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.10587 Da |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C#N |
| InChIKey | FBTIGRFRGXFPNM-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Cyanophenyl)-3-(P-tolyl)urea
Property Insights of 1-(4-Cyanophenyl)-3-(P-tolyl)urea
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Cyanophenyl)-3-(P-tolyl)urea. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Cyanophenyl)-3-(P-tolyl)urea. Following Lipinski's Rule of Five, 1-(4-Cyanophenyl)-3-(P-tolyl)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 1-(4-Cyanophenyl)-3-(P-tolyl)urea?
The CAS number of 1-(4-Cyanophenyl)-3-(P-tolyl)urea is 107676-57-3.
What is the molecular formula of 1-(4-Cyanophenyl)-3-(P-tolyl)urea?
The molecular formula of 1-(4-Cyanophenyl)-3-(P-tolyl)urea is C15H13N3O.
What is the molecular weight of 1-(4-Cyanophenyl)-3-(P-tolyl)urea?
The molecular weight of 1-(4-Cyanophenyl)-3-(P-tolyl)urea is 251.10587 g/mol.
Where can I buy 1-(4-Cyanophenyl)-3-(P-tolyl)urea?
You can request a quote for 1-(4-Cyanophenyl)-3-(P-tolyl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Cyanophenyl)-3-(P-tolyl)urea?
Yes, CoreyChem provides custom synthesis services for 1-(4-Cyanophenyl)-3-(P-tolyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.