1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea
TL;DR: 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea (CAS 35608-28-7) is a chemical compound with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyanophenyl)-3-(4-methylphenyl)sulfonylurea
Also Known As: 1-(2-nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea, 1-(2-cyanophenyl)-3-(4-methylbenzenesulfonyl)urea, 1-(2-cyanophenyl)-3-(p-tolylsulfonyl)urea, 1-(2-cyanophenyl)-3-(4-methylphenyl)sulfonylurea, 3-(2-cyanophenyl)-1-(4-methylphenyl)sulfonyl-urea
| Molecular Formula | C15H13N3O3S |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 2.3771 |
| Topological Polar Surface Area | 99.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.06775 |
| Heavy Atoms | 22 |
| Complexity | 837.08154 |
Chemical Identifiers
| CAS Number | 35608-28-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC=C2C#N |
Product Overview
1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea (CAS 35608-28-7), with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol. IUPAC: 1-(2-cyanophenyl)-3-(4-methylphenyl)sulfonylurea.
Chemical Property Profile of 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea
Property Insights of 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea
The XLogP value of 2.3771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea. The TPSA of 99.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea. Following Lipinski's Rule of Five, 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea 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 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea?
The CAS number of 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea is 35608-28-7.
What is the molecular formula of 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea?
The molecular formula of 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea is C15H13N3O3S.
What is the molecular weight of 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea?
The molecular weight of 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea is 315.07 g/mol.
Where can I buy 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea?
You can request a quote for 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Nitrilophenyl)-3-((4-methylphenyl)sulfonyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.