![N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide structure](/static/products/443/443322-01-8.png)
N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide
TL;DR: N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide (CAS 443322-01-8) is a chemical compound with molecular formula C20H17F3N6O4S and molecular weight 494.10 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-nitrophenyl)sulfonyl-3-[2-(trifluoromethyl)phenyl]guanidine
Also Known As: N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide, (Z)-N-(((4,6-dimethylpyrimidin-2-yl)amino)((2-(trifluoromethyl)phenyl)amino)methylene)-4-nitrobenzenesulfonamide, 1-(4,6-dimethylpyrimidin-2-yl)-2-(4-nitrophenyl)sulfonyl-3-[2-(trifluoromethyl)phenyl]guanidine
| Molecular Formula | C20H17F3N6O4S |
|---|---|
| Molecular Weight | 494.10 g/mol |
| LogP | 4.28934 |
| Topological Polar Surface Area | 139.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.09842 |
| Heavy Atoms | 34 |
| Complexity | 1339.2169 |
Chemical Identifiers
| CAS Number | 443322-01-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N/C(=N\S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])/NC3=CC=CC=C3C(F)(F)F)C |
Product Overview
N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide (CAS 443322-01-8), with molecular formula C20H17F3N6O4S and molecular weight 494.10 g/mol. IUPAC: 1-(4,6-dimethylpyrimidin-2-yl)-2-(4-nitrophenyl)sulfonyl-3-[2-(trifluoromethyl)phenyl]guanidine.
Chemical Property Profile of N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide
Property Insights of N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide
The XLogP value of 4.28934 indicates that N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide has 2 hydrogen bond donor(s) and 6 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 N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide?
The CAS number of N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide is 443322-01-8.
What is the molecular formula of N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide?
The molecular formula of N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide is C20H17F3N6O4S.
What is the molecular weight of N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide?
The molecular weight of N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide is 494.10 g/mol.
Where can I buy N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide?
You can request a quote for N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(trifluoromethyl)phenyl]amino}methylidene]-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.