1-Phenyl-2-(phenylsulphonyl)ethan-1-one
TL;DR: 1-Phenyl-2-(phenylsulphonyl)ethan-1-one (CAS 3406-03-9) is a chemical compound with molecular formula C14H12O3S and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-1-phenylethanone
Also Known As: 2-(Phenylsulfonyl)acetophenone, 1-Phenyl-2-(phenylsulfonyl)ethanone, 2-Phenylsulfonylacetophenone, phenacylphenyl sulfone, Phenacyl phenyl sulfone
| Molecular Formula | C14H12O3S |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.05072 |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 3406-03-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | DREVPGKOIZVPQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-2-(phenylsulphonyl)ethan-1-one (CAS 3406-03-9), with molecular formula C14H12O3S and molecular weight 260.05 g/mol. IUPAC: 2-(benzenesulfonyl)-1-phenylethanone.
Chemical Property Profile of 1-Phenyl-2-(phenylsulphonyl)ethan-1-one
Property Insights of 1-Phenyl-2-(phenylsulphonyl)ethan-1-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-2-(phenylsulphonyl)ethan-1-one. With a topological polar surface area (TPSA) of 59.6 Ų, 1-Phenyl-2-(phenylsulphonyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-2-(phenylsulphonyl)ethan-1-one 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-Phenyl-2-(phenylsulphonyl)ethan-1-one?
The CAS number of 1-Phenyl-2-(phenylsulphonyl)ethan-1-one is 3406-03-9.
What is the molecular formula of 1-Phenyl-2-(phenylsulphonyl)ethan-1-one?
The molecular formula of 1-Phenyl-2-(phenylsulphonyl)ethan-1-one is C14H12O3S.
What is the molecular weight of 1-Phenyl-2-(phenylsulphonyl)ethan-1-one?
The molecular weight of 1-Phenyl-2-(phenylsulphonyl)ethan-1-one is 260.05 g/mol.
Where can I buy 1-Phenyl-2-(phenylsulphonyl)ethan-1-one?
You can request a quote for 1-Phenyl-2-(phenylsulphonyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-2-(phenylsulphonyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2-(phenylsulphonyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.