1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone
TL;DR: 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone (CAS 16697-77-1) is a chemical compound with molecular formula C9H10O3S and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyphenyl)-2-methylsulfinylethanone
Also Known As: 2'-hydroxy-2-(methylsulfinyl)acetophenone, 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone, 2'-hydroxy-2-(methylsulfinyl)-acetophenone, 1-(2-hydroxyphenyl)-2-methylsulfinylethanone, 2-Hydroxy-1-[(methylsulfinyl) acetyl]benzene
| Molecular Formula | C9H10O3S |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.03506 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 16697-77-1 |
|---|---|
| SMILES | CS(=O)CC(=O)C1=CC=CC=C1O |
| InChIKey | FWLIEUDMZIYEAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone (CAS 16697-77-1), with molecular formula C9H10O3S and molecular weight 198.04 g/mol. IUPAC: 1-(2-hydroxyphenyl)-2-methylsulfinylethanone.
Chemical Property Profile of 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone
Property Insights of 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone. Following Lipinski's Rule of Five, 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone has 1 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 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone?
The CAS number of 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone is 16697-77-1.
What is the molecular formula of 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone?
The molecular formula of 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone is C9H10O3S.
What is the molecular weight of 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone?
The molecular weight of 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone is 198.04 g/mol.
Where can I buy 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone?
You can request a quote for 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Hydroxyphenyl)-2-(methylsulfinyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.