![1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea structure](/static/products/866/866010-59-5.png)
1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea
TL;DR: 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea (CAS 866010-59-5) is a chemical compound with molecular formula C19H16F3N3O3S and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonyl-3-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]urea
Also Known As: 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea, 1-[2-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]-4-(trifluoromethyl)phenyl]-1H-pyrrole, 1-(4-methylphenyl)sulfonyl-3-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]urea, 3-(4-methylphenyl)sulfonyl-1-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]urea, 1-(4-methylbenzenesulfonyl)-3-[2-(pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea
| Molecular Formula | C19H16F3N3O3S |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 4.31492 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.08646 |
| Heavy Atoms | 29 |
| Complexity | 1123.7512 |
Chemical Identifiers
| CAS Number | 866010-59-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=C3 |
Product Overview
1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea (CAS 866010-59-5), with molecular formula C19H16F3N3O3S and molecular weight 423.09 g/mol. IUPAC: 1-(4-methylphenyl)sulfonyl-3-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea
Property Insights of 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea
The XLogP value of 4.31492 indicates that 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea. Following Lipinski's Rule of Five, 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea has 2 hydrogen bond donor(s) and 3 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-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea?
The CAS number of 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea is 866010-59-5.
What is the molecular formula of 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea?
The molecular formula of 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea is C19H16F3N3O3S.
What is the molecular weight of 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea?
The molecular weight of 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea is 423.09 g/mol.
Where can I buy 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea?
You can request a quote for 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylbenzenesulfonyl)-3-[2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.