1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene
TL;DR: 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene (CAS 57468-12-9) is a chemical compound with molecular formula C10H14O4S2 and molecular weight 262.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(2-methylsulfonylethylsulfonyl)benzene
Also Known As: 1-methyl-4-(2-methylsulfonylethylsulfonyl)benzene, 1-methyl-4-{[2-(methylsulfonyl)ethyl]sulfonyl}benzene, 1-[2-(Methanesulfonyl)ethanesulfonyl]-4-methylbenzene, Benzene,1-methyl-4-[[2-(methylsulfonyl)ethyl]sulfonyl]-
| Molecular Formula | C10H14O4S2 |
|---|---|
| Molecular Weight | 262.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.03336 |
| Heavy Atoms | 16 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 57468-12-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CCS(=O)(=O)C |
| InChIKey | DVZWJUUZLSCUQB-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene (CAS 57468-12-9), with molecular formula C10H14O4S2 and molecular weight 262.03 g/mol. IUPAC: 1-methyl-4-(2-methylsulfonylethylsulfonyl)benzene.
Chemical Property Profile of 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene
Property Insights of 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene. Following Lipinski's Rule of Five, 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene has 0 hydrogen bond donor(s) and 4 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-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene?
The CAS number of 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene is 57468-12-9.
What is the molecular formula of 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene?
The molecular formula of 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene is C10H14O4S2.
What is the molecular weight of 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene?
The molecular weight of 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene is 262.03 g/mol.
Where can I buy 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene?
You can request a quote for 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.