Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)-
TL;DR: Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)- (CAS 46050-57-1) is a chemical compound with molecular formula C8H9NO2S and molecular weight 183.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfinyl-1-pyridin-3-ylethanone
Also Known As: 2-methylsulfinyl-1-pyridin-3-ylethanone, 3-(Methylsulfinylacetyl) pyridine, 3-[(Methylsulfinyl)acetyl]pyridine, Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)-, 2-methylsulfinyl-1-(3-pyridyl)ethanone
| Molecular Formula | C8H9NO2S |
|---|---|
| Molecular Weight | 183.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.0354 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 46050-57-1 |
|---|---|
| SMILES | CS(=O)CC(=O)C1=CN=CC=C1 |
| InChIKey | AYJZEYVVBOPHID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)- (CAS 46050-57-1), with molecular formula C8H9NO2S and molecular weight 183.04 g/mol. IUPAC: 2-methylsulfinyl-1-pyridin-3-ylethanone.
Chemical Property Profile of Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)-
Property Insights of Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)-
The XLogP value of -0.3 indicates that Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)-. Following Lipinski's Rule of Five, Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)- 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 Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)-?
The CAS number of Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)- is 46050-57-1.
What is the molecular formula of Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)-?
The molecular formula of Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)- is C8H9NO2S.
What is the molecular weight of Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)-?
The molecular weight of Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)- is 183.04 g/mol.
Where can I buy Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)-?
You can request a quote for Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2-(methylsulfinyl)-1-(3-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.