3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one
TL;DR: 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one (CAS 16063-16-4) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-methylsulfinylquinolin-4-one
Also Known As: 1-methyl-3-methylsulfinylquinolin-4-one, 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one, J1.206.086F, 1-Methyl-3-(methylsulfinyl)quinoline-4(1H)-one, 1-methyl-1,4-dihydro-4-oxo-3-methylsulfinylquinoline
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 16063-16-4 |
|---|---|
| SMILES | CN1C=C(C(=O)C2=CC=CC=C21)S(=O)C |
| InChIKey | UZWAHQKAIZUPJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one (CAS 16063-16-4), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: 1-methyl-3-methylsulfinylquinolin-4-one.
Chemical Property Profile of 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one
Property Insights of 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one. With a topological polar surface area (TPSA) of 56.6 Ų, 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one 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 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one?
The CAS number of 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one is 16063-16-4.
What is the molecular formula of 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one?
The molecular formula of 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one is C11H11NO2S.
What is the molecular weight of 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one?
The molecular weight of 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one is 221.05 g/mol.
Where can I buy 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one?
You can request a quote for 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methanesulfinyl)-1-methylquinolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.