![1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene structure](/static/products/5754/57547-74-7.webp)
1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene
TL;DR: 1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene (CAS 57547-74-7) is a chemical compound with molecular formula C22H22O2S and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene
Also Known As: 2-benzenesulfonyl-6-bromo-benzoic acid, 1-methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene, 1-methyl-4-{[2-(4-methylphenyl)-2-phenylethyl]sulfonyl}benzene, 1-Methyl-4-[2-(4-methylbenzene-1-sulfonyl)-1-phenylethyl]benzene
| Molecular Formula | C22H22O2S |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.13406 |
| Heavy Atoms | 25 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 57547-74-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3 |
| InChIKey | MPBXOOAOOBIXOG-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene (CAS 57547-74-7), with molecular formula C22H22O2S and molecular weight 350.13 g/mol. IUPAC: 1-methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene.
Chemical Property Profile of 1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene
Property Insights of 1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene
The XLogP value of 5.3 indicates that 1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene?
The CAS number of 1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene is 57547-74-7.
What is the molecular formula of 1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene?
The molecular formula of 1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene is C22H22O2S.
What is the molecular weight of 1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene?
The molecular weight of 1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene is 350.13 g/mol.
Where can I buy 1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene?
You can request a quote for 1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]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-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.