Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)-
TL;DR: Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)- (CAS 2891-96-5) is a chemical compound with molecular formula C7H8O3S and molecular weight 172.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-yl)-2-methylsulfinylethanone
Also Known As: omega-Methylsulfinyl-alpha-acetylfuran, 1-(2-Furanyl)-2-(methylsulfinyl)ethanone, omega-Metilsulfinil alpha-acetofurano, Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)-, 1-(furan-2-yl)-2-methylsulfinylethanone
| Molecular Formula | C7H8O3S |
|---|---|
| Molecular Weight | 172.02 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.01941 |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 2891-96-5 |
|---|---|
| SMILES | CS(=O)CC(=O)C1=CC=CO1 |
| InChIKey | MBEAPRDDKXQFSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)- (CAS 2891-96-5), with molecular formula C7H8O3S and molecular weight 172.02 g/mol. IUPAC: 1-(furan-2-yl)-2-methylsulfinylethanone.
Chemical Property Profile of Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)-
Property Insights of Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)-
The XLogP value of -0.2 indicates that Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)-. Following Lipinski's Rule of Five, Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)- 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, 1-(2-furanyl)-2-(methylsulfinyl)-?
The CAS number of Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)- is 2891-96-5.
What is the molecular formula of Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)-?
The molecular formula of Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)- is C7H8O3S.
What is the molecular weight of Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)-?
The molecular weight of Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)- is 172.02 g/mol.
Where can I buy Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)-?
You can request a quote for Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.