Mesityl phenyl sulfone
TL;DR: Mesityl phenyl sulfone (CAS 3112-82-1) is a chemical compound with molecular formula C15H16O2S and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-1,3,5-trimethylbenzene
Also Known As: Mesityl phenyl sulfone, Sulfone, mesityl phenyl, Mesitylphenyl sulfone, Phenylmesityl sulfone, phenyl mesityl sulphone
| Molecular Formula | C15H16O2S |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.0871 |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 3112-82-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=CC=CC=C2)C |
| InChIKey | KASDQDYPCNMNLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mesityl phenyl sulfone (CAS 3112-82-1), with molecular formula C15H16O2S and molecular weight 260.09 g/mol. IUPAC: 2-(benzenesulfonyl)-1,3,5-trimethylbenzene.
Chemical Property Profile of Mesityl phenyl sulfone
Property Insights of Mesityl phenyl sulfone
The XLogP value of 3.7 indicates that Mesityl phenyl 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, Mesityl phenyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mesityl phenyl 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 Mesityl phenyl sulfone?
The CAS number of Mesityl phenyl sulfone is 3112-82-1.
What is the molecular formula of Mesityl phenyl sulfone?
The molecular formula of Mesityl phenyl sulfone is C15H16O2S.
What is the molecular weight of Mesityl phenyl sulfone?
The molecular weight of Mesityl phenyl sulfone is 260.09 g/mol.
Where can I buy Mesityl phenyl sulfone?
You can request a quote for Mesityl phenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mesityl phenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Mesityl phenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.