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 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C17H19N3O3S |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 2.71806 |
| Topological Polar Surface Area | 89.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.11472 |
| Heavy Atoms | 24 |
| Complexity | 880.92804 |
Chemical Identifiers
| CAS Number | 1025154-84-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=NC(=CC(=N2)C)C)C(=O)C |
Product Overview
4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one (CAS 1025154-84-0), with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol. IUPAC: 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)sulfonylbut-3-en-2-one.
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 2.71806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one. The TPSA of 89.02 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
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 345.11 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4,6-Dimethylpyrimidin-2-YL)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one?
Yes, KEHONG BIO 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.