(E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide
TL;DR: (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide (CAS 351226-01-2) is a chemical compound with molecular formula C21H20F3N5O2S and molecular weight 463.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonyl-3-[3-(trifluoromethyl)phenyl]guanidine
Also Known As: (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide, 1-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonyl-3-[3-(trifluoromethyl)phenyl]guanidine
| Molecular Formula | C21H20F3N5O2S |
|---|---|
| Molecular Weight | 463.13 g/mol |
| LogP | 4.68956 |
| Topological Polar Surface Area | 96.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.12897 |
| Heavy Atoms | 32 |
| Complexity | 1236.9219 |
Chemical Identifiers
| CAS Number | 351226-01-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)/N=C(\NC2=CC=CC(=C2)C(F)(F)F)/NC3=NC(=CC(=N3)C)C |
Product Overview
(E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide (CAS 351226-01-2), with molecular formula C21H20F3N5O2S and molecular weight 463.13 g/mol. IUPAC: 1-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonyl-3-[3-(trifluoromethyl)phenyl]guanidine.
Chemical Property Profile of (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide
Property Insights of (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide
The XLogP value of 4.68956 indicates that (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide. Following Lipinski's Rule of Five, (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide 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 (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide?
The CAS number of (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide is 351226-01-2.
What is the molecular formula of (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide?
The molecular formula of (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide is C21H20F3N5O2S.
What is the molecular weight of (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide?
The molecular weight of (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide is 463.13 g/mol.
Where can I buy (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide?
You can request a quote for (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((3-(trifluoromethyl)phenyl)amino)methylene)-4-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.