3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one
TL;DR: 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one (CAS 1024791-94-3) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfonyl-4-(pyridin-2-ylamino)but-3-en-2-one
Also Known As: 3-((4-METHYLPHENYL)SULFONYL)-4-(2-PYRIDYLAMINO)BUT-3-EN-2-ONE, 3-(4-methylphenyl)sulfonyl-4-(pyridin-2-ylamino)but-3-en-2-one, 3-(p-tolylsulfonyl)-4-(2-pyridylamino)but-3-en-2-one, (3E)-3-(4-methylbenzenesulfonyl)-4-[(pyridin-2-yl)amino]but-3-en-2-one
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 2.70622 |
| Topological Polar Surface Area | 76.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 795.0444 |
Chemical Identifiers
| CAS Number | 1024791-94-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=CC=N2)C(=O)C |
Product Overview
3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one (CAS 1024791-94-3), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: 3-(4-methylphenyl)sulfonyl-4-(pyridin-2-ylamino)but-3-en-2-one.
Chemical Property Profile of 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one
Property Insights of 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one
The XLogP value of 2.70622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one. The TPSA of 76.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one. Following Lipinski's Rule of Five, 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one has 1 hydrogen bond donor(s) and 5 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 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one?
The CAS number of 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one is 1024791-94-3.
What is the molecular formula of 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one?
The molecular formula of 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one is C16H16N2O3S.
What is the molecular weight of 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one?
The molecular weight of 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one is 316.09 g/mol.
Where can I buy 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one?
You can request a quote for 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)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 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Methylphenyl)sulfonyl)-4-(2-pyridylamino)but-3-EN-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.