1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone
TL;DR: 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone (CAS 406-93-9) is a chemical compound with molecular formula C9H9FO3S and molecular weight 216.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-fluorophenyl)-2-methylsulfonylethanone
Also Known As: 1-(3-fluorophenyl)-2-(methylsulfonyl)ethanone, 1-(3-fluorobenzoyl)dimethylsulfone, 1-(3-fluorophenyl)-2-methylsulfonylethanone, 4,4,4-Trifluorobutyric Acid, 3'-fluoro-2-(methylsulphonyl)acetophenone
| Molecular Formula | C9H9FO3S |
|---|---|
| Molecular Weight | 216.03 g/mol |
| LogP | 1.053 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.02565 |
| Heavy Atoms | 14 |
| Complexity | 450.8798 |
Chemical Identifiers
| CAS Number | 406-93-9 |
|---|---|
| SMILES | CS(=O)(=O)CC(=O)C1=CC(=CC=C1)F |
Product Overview
1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone (CAS 406-93-9), with molecular formula C9H9FO3S and molecular weight 216.03 g/mol. IUPAC: 1-(3-fluorophenyl)-2-methylsulfonylethanone.
Chemical Property Profile of 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone
Property Insights of 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone
The XLogP value of 1.053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone. With a topological polar surface area (TPSA) of 51.21 Ų, 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone has 0 hydrogen bond donor(s) and 3 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-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone?
The CAS number of 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone is 406-93-9.
What is the molecular formula of 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone?
The molecular formula of 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone is C9H9FO3S.
What is the molecular weight of 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone?
The molecular weight of 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone is 216.03 g/mol.
Where can I buy 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone?
You can request a quote for 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.