Mesityl sulfone
TL;DR: Mesityl sulfone (CAS 3112-79-6) is a chemical compound with molecular formula C18H22O2S and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfonylbenzene
Also Known As: Mesityl sulfone, dimesityl sulfone, dimesityl sulphone, 1,4,6-trimethylbenzene], Bis(2,4,6-trimethylphenyl) sulfone
| Molecular Formula | C18H22O2S |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.13406 |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 3112-79-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=C(C=C(C=C2C)C)C)C |
| InChIKey | QKCBXXUTOURERT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mesityl sulfone (CAS 3112-79-6), with molecular formula C18H22O2S and molecular weight 302.13 g/mol. IUPAC: 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfonylbenzene.
Chemical Property Profile of Mesityl sulfone
Property Insights of Mesityl sulfone
The XLogP value of 4.9 indicates that Mesityl 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 sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mesityl 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 sulfone?
The CAS number of Mesityl sulfone is 3112-79-6.
What is the molecular formula of Mesityl sulfone?
The molecular formula of Mesityl sulfone is C18H22O2S.
What is the molecular weight of Mesityl sulfone?
The molecular weight of Mesityl sulfone is 302.13 g/mol.
Where can I buy Mesityl sulfone?
You can request a quote for Mesityl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mesityl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Mesityl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.