1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone
TL;DR: 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone (CAS 221615-75-4) is a chemical compound with molecular formula C15H15NO3S and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-methyl-3-pyridinyl)-2-(4-methylsulfonylphenyl)ethanone
Also Known As: 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone, Ketosulfone, Etoricoxib Impurity 6, Etoricoxib Impurity D, Etoricoxib Impurity F
| Molecular Formula | C15H15NO3S |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | 2.21892 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.07727 |
| Heavy Atoms | 20 |
| Complexity | 716.7189 |
Chemical Identifiers
| CAS Number | 221615-75-4 |
|---|---|
| SMILES | CC1=NC=C(C=C1)C(=O)CC2=CC=C(C=C2)S(=O)(=O)C |
Product Overview
1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone (CAS 221615-75-4), with molecular formula C15H15NO3S and molecular weight 289.08 g/mol. IUPAC: 1-(6-methyl-3-pyridinyl)-2-(4-methylsulfonylphenyl)ethanone.
Chemical Property Profile of 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone
Property Insights of 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone
The XLogP value of 2.21892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone. Following Lipinski's Rule of Five, 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone has 0 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 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone?
The CAS number of 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone is 221615-75-4.
What is the molecular formula of 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone?
The molecular formula of 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone is C15H15NO3S.
What is the molecular weight of 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone?
The molecular weight of 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone is 289.08 g/mol.
Where can I buy 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone?
You can request a quote for 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.