3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea
TL;DR: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea (CAS 144848-79-3) is a chemical compound with molecular formula C14H11ClF3N3O3S and molecular weight 393.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methylphenyl)sulfonylurea
Also Known As: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea, 3-chloro-2-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]-5-(trifluoromethyl)pyridine, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(4-methylphenyl)sulfonylurea
| Molecular Formula | C14H11ClF3N3O3S |
|---|---|
| Molecular Weight | 393.02 g/mol |
| LogP | 3.57262 |
| Topological Polar Surface Area | 88.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.01617 |
| Heavy Atoms | 25 |
| Complexity | 899.7734 |
Chemical Identifiers
| CAS Number | 144848-79-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea (CAS 144848-79-3), with molecular formula C14H11ClF3N3O3S and molecular weight 393.02 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methylphenyl)sulfonylurea.
Chemical Property Profile of 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea
Property Insights of 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea
The XLogP value of 3.57262 indicates that 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea. Following Lipinski's Rule of Five, 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)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 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea?
The CAS number of 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea is 144848-79-3.
What is the molecular formula of 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea?
The molecular formula of 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea is C14H11ClF3N3O3S.
What is the molecular weight of 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea?
The molecular weight of 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea is 393.02 g/mol.
Where can I buy 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea?
You can request a quote for 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylbenzenesulfonyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.