1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone
TL;DR: 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone (CAS 339100-58-2) is a chemical compound with molecular formula C16H16O4S and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone
Also Known As: 1-(4-hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone, 2-(benzenesulfonyl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone, 2-(benzenesulfonyl)-1-(4-hydroxy-3,5-dimethylphenyl)ethan-1-one
| Molecular Formula | C16H16O4S |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 2.66564 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.07693 |
| Heavy Atoms | 21 |
| Complexity | 754.1743 |
Chemical Identifiers
| CAS Number | 339100-58-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C)C(=O)CS(=O)(=O)C2=CC=CC=C2 |
Product Overview
1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone (CAS 339100-58-2), with molecular formula C16H16O4S and molecular weight 304.08 g/mol. IUPAC: 2-(benzenesulfonyl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone.
Chemical Property Profile of 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone
Property Insights of 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone
The XLogP value of 2.66564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone. Following Lipinski's Rule of Five, 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-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-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone?
The CAS number of 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone is 339100-58-2.
What is the molecular formula of 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone?
The molecular formula of 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone is C16H16O4S.
What is the molecular weight of 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone?
The molecular weight of 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone is 304.08 g/mol.
Where can I buy 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone?
You can request a quote for 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.