2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone
TL;DR: 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone (CAS 333326-13-9) is a chemical compound with molecular formula C19H21N3OS and molecular weight 339.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone
Also Known As: BAS 02232918, 2-(4-methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone, 2,2,4-trimethyl-1-{[(4-methylpyrimidin-2-yl)thio]acetyl}-1,2-dihydroquinoline, 2-(4-methylpyrimidin-2-ylthio)-1-(2,2,4-trimethyl(1,2-dihydroquinolyl))ethan-1 -one, 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone
| Molecular Formula | C19H21N3OS |
|---|---|
| Molecular Weight | 339.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.14053 |
| Heavy Atoms | 24 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 333326-13-9 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC(=O)N2C3=CC=CC=C3C(=CC2(C)C)C |
| InChIKey | DUUWRROLRVAMQR-UHFFFAOYSA-N |
Product Overview
2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone (CAS 333326-13-9), with molecular formula C19H21N3OS and molecular weight 339.14 g/mol. IUPAC: 2-(4-methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone.
Chemical Property Profile of 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone
Property Insights of 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone
The XLogP value of 3.4 indicates that 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)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 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone?
The CAS number of 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone is 333326-13-9.
What is the molecular formula of 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone?
The molecular formula of 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone is C19H21N3OS.
What is the molecular weight of 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone?
The molecular weight of 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone is 339.14 g/mol.
Where can I buy 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone?
You can request a quote for 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.