4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one
TL;DR: 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one (CAS 1025154-84-0) is a chemical compound with molecular formula C17H19N3O3S and molecular weight 345.11472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)sulfonylbut-3-en-2-one
Also Known As: 4-((4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO)-3-((4-METHYLPHENYL)SULFONYL)BUT-3-EN-2-ONE, 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(p-tolylsulfonyl)but-3-en-2-one, (3Z)-4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylbenzenesulfonyl)but-3-en-2-one, 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)sulfonyl-but-3-en-2-one, 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)sulfonylbut-3-en-2-one
Technical Specifications
| Molecular Formula | C17H19N3O3S |
| Molecular Weight | 345.11472 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 97.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.11472 Da |
| Heavy Atoms | 24 |
| Complexity | 564.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=NC(=CC(=N2)C)C)C(=O)C |
| InChIKey | YBNKQHIBEASVHJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one
Property Insights of 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one
The XLogP value of 3.1 indicates that 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one. Following Lipinski's Rule of Five, 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one?
The CAS number of 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one is 1025154-84-0.
What is the molecular formula of 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one?
The molecular formula of 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one is C17H19N3O3S.
What is the molecular weight of 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one?
The molecular weight of 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one is 345.11472 g/mol.
Where can I buy 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one?
You can request a quote for 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one?
Yes, CoreyChem provides custom synthesis services for 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.