4-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one
TL;DR: 4-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one (CAS 1025206-79-4) is a chemical compound with molecular formula C17H16FNO3S and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-fluoroanilino)-3-(4-methylphenyl)sulfonylbut-3-en-2-one
Also Known As: 4-((2-FLUOROPHENYL)AMINO)-3-((4-METHYLPHENYL)SULFONYL)BUT-3-EN-2-ONE, 4-(2-fluoroanilino)-3-(p-tolylsulfonyl)but-3-en-2-one, 4-(2-fluoroanilino)-3-(4-methylphenyl)sulfonylbut-3-en-2-one, 4-[(2-fluorophenyl)amino]-3-(4-methylphenyl)sulfonyl-but-3-en-2-one
| Molecular Formula | C17H16FNO3S |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 3.45032 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.0835 |
| Heavy Atoms | 23 |
| Complexity | 855.6622 |
Chemical Identifiers
| CAS Number | 1025206-79-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=CC=C2F)C(=O)C |
Product Overview
4-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one (CAS 1025206-79-4), with molecular formula C17H16FNO3S and molecular weight 333.08 g/mol. IUPAC: 4-(2-fluoroanilino)-3-(4-methylphenyl)sulfonylbut-3-en-2-one.
Chemical Property Profile of 4-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one
Property Insights of 4-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one
The XLogP value of 3.45032 indicates that 4-((2-Fluorophenyl)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 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one. Following Lipinski's Rule of Five, 4-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one has 1 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 4-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one?
The CAS number of 4-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one is 1025206-79-4.
What is the molecular formula of 4-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one?
The molecular formula of 4-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one is C17H16FNO3S.
What is the molecular weight of 4-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one?
The molecular weight of 4-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one is 333.08 g/mol.
Where can I buy 4-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one?
You can request a quote for 4-((2-Fluorophenyl)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-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Fluorophenyl)amino)-3-((4-methylphenyl)sulfonyl)but-3-EN-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.