Phenethyl sulfone
TL;DR: Phenethyl sulfone (CAS 79953-04-1) is a chemical compound with molecular formula C16H18O2S and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylethylsulfonyl)ethylbenzene
Also Known As: Phenethyl sulfone, NCIOpen2_004560, 2-(2-phenylethylsulfonyl)ethylbenzene, 2-phenethylsulfonylethylbenzene, Benzene,1,1'-(sulfonyldi-2,1-ethanediyl)bis- (9CI)
| Molecular Formula | C16H18O2S |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.10275 |
| Heavy Atoms | 19 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 79953-04-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCS(=O)(=O)CCC2=CC=CC=C2 |
| InChIKey | DKUITGQKEJLOBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethyl sulfone (CAS 79953-04-1), with molecular formula C16H18O2S and molecular weight 274.10 g/mol. IUPAC: 2-(2-phenylethylsulfonyl)ethylbenzene.
Chemical Property Profile of Phenethyl sulfone
Property Insights of Phenethyl sulfone
The XLogP value of 3.5 indicates that Phenethyl sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, Phenethyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl sulfone has 0 hydrogen bond donor(s) and 2 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 Phenethyl sulfone?
The CAS number of Phenethyl sulfone is 79953-04-1.
What is the molecular formula of Phenethyl sulfone?
The molecular formula of Phenethyl sulfone is C16H18O2S.
What is the molecular weight of Phenethyl sulfone?
The molecular weight of Phenethyl sulfone is 274.10 g/mol.
Where can I buy Phenethyl sulfone?
You can request a quote for Phenethyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.