1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene
TL;DR: 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene (CAS 65516-86-1) is a chemical compound with molecular formula C10H11F3O6S3 and molecular weight 379.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-tris(methylsulfonyl)-5-(trifluoromethyl)benzene
Also Known As: Maybridge1_003267, 1,2,3-tris(methylsulfonyl)-5-(trifluoromethyl)benzene
| Molecular Formula | C10H11F3O6S3 |
|---|---|
| Molecular Weight | 379.97 g/mol |
| LogP | 0.9159 |
| Topological Polar Surface Area | 102.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.96698 |
| Heavy Atoms | 22 |
| Complexity | 871.60443 |
Chemical Identifiers
| CAS Number | 65516-86-1 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=CC(=C1S(=O)(=O)C)S(=O)(=O)C)C(F)(F)F |
Product Overview
1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene (CAS 65516-86-1), with molecular formula C10H11F3O6S3 and molecular weight 379.97 g/mol. IUPAC: 1,2,3-tris(methylsulfonyl)-5-(trifluoromethyl)benzene.
Chemical Property Profile of 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene
Property Insights of 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene
The XLogP value of 0.9159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene. The TPSA of 102.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene. Following Lipinski's Rule of Five, 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 6 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 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene?
The CAS number of 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene is 65516-86-1.
What is the molecular formula of 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene?
The molecular formula of 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene is C10H11F3O6S3.
What is the molecular weight of 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene?
The molecular weight of 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene is 379.97 g/mol.
Where can I buy 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene?
You can request a quote for 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Tris(methylsulfonyl)-5-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.