1-(2-Cyanophenyl)-1-methyl-3-phenylurea
TL;DR: 1-(2-Cyanophenyl)-1-methyl-3-phenylurea (CAS 92554-63-7) is a chemical compound with molecular formula C15H13N3O and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyanophenyl)-1-methyl-3-phenylurea
Also Known As: 1-(2-cyanophenyl)-1-methyl-3-phenylurea, N-(2-Cyanophenyl)-N-methyl-N'-phenylurea, Urea,n-(2-cyanophenyl)-n-methyl-n-phenyl-, N-Phenyl-N'-methyl-(2-cyan-phenyl)-harnstoff
| Molecular Formula | C15H13N3O |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.10587 |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 92554-63-7 |
|---|---|
| SMILES | CN(C1=CC=CC=C1C#N)C(=O)NC2=CC=CC=C2 |
| InChIKey | DWZCSKWJLJGFDU-UHFFFAOYSA-N |
Product Overview
1-(2-Cyanophenyl)-1-methyl-3-phenylurea (CAS 92554-63-7), with molecular formula C15H13N3O and molecular weight 251.11 g/mol. IUPAC: 1-(2-cyanophenyl)-1-methyl-3-phenylurea.
Chemical Property Profile of 1-(2-Cyanophenyl)-1-methyl-3-phenylurea
Property Insights of 1-(2-Cyanophenyl)-1-methyl-3-phenylurea
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Cyanophenyl)-1-methyl-3-phenylurea. With a topological polar surface area (TPSA) of 56.1 Ų, 1-(2-Cyanophenyl)-1-methyl-3-phenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Cyanophenyl)-1-methyl-3-phenylurea has 1 hydrogen bond donor(s) and 2 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 1-(2-Cyanophenyl)-1-methyl-3-phenylurea?
The CAS number of 1-(2-Cyanophenyl)-1-methyl-3-phenylurea is 92554-63-7.
What is the molecular formula of 1-(2-Cyanophenyl)-1-methyl-3-phenylurea?
The molecular formula of 1-(2-Cyanophenyl)-1-methyl-3-phenylurea is C15H13N3O.
What is the molecular weight of 1-(2-Cyanophenyl)-1-methyl-3-phenylurea?
The molecular weight of 1-(2-Cyanophenyl)-1-methyl-3-phenylurea is 251.11 g/mol.
Where can I buy 1-(2-Cyanophenyl)-1-methyl-3-phenylurea?
You can request a quote for 1-(2-Cyanophenyl)-1-methyl-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Cyanophenyl)-1-methyl-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Cyanophenyl)-1-methyl-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.