![1-Methyl-2-[(phenylsulfonyl)methyl]benzene structure](/static/products/7199/71996-48-0.webp)
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
TL;DR: 1-Methyl-2-[(phenylsulfonyl)methyl]benzene (CAS 71996-48-0) is a chemical compound with molecular formula C14H14O2S and molecular weight 246.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonylmethyl)-2-methylbenzene
Also Known As: 1-Methyl-2-[(phenylsulfonyl)methyl]benzene, 2-Methylbenzyl phenyl sulfone, 2-Methylbenzylphenyl sulfone, 1-(benzenesulfonylmethyl)-2-methylbenzene, Phenyl(2-methylbenzyl) sulfone
| Molecular Formula | C14H14O2S |
|---|---|
| Molecular Weight | 246.07 g/mol |
| LogP | 2.96892 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.07146 |
| Heavy Atoms | 17 |
| Complexity | 601.12915 |
Chemical Identifiers
| CAS Number | 71996-48-0 |
|---|---|
| SMILES | CC1=CC=CC=C1CS(=O)(=O)C2=CC=CC=C2 |
Product Overview
1-Methyl-2-[(phenylsulfonyl)methyl]benzene (CAS 71996-48-0), with molecular formula C14H14O2S and molecular weight 246.07 g/mol. IUPAC: 1-(benzenesulfonylmethyl)-2-methylbenzene.
Chemical Property Profile of 1-Methyl-2-[(phenylsulfonyl)methyl]benzene
Property Insights of 1-Methyl-2-[(phenylsulfonyl)methyl]benzene
The XLogP value of 2.96892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-[(phenylsulfonyl)methyl]benzene. With a topological polar surface area (TPSA) of 34.14 Ų, 1-Methyl-2-[(phenylsulfonyl)methyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-[(phenylsulfonyl)methyl]benzene 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 1-Methyl-2-[(phenylsulfonyl)methyl]benzene?
The CAS number of 1-Methyl-2-[(phenylsulfonyl)methyl]benzene is 71996-48-0.
What is the molecular formula of 1-Methyl-2-[(phenylsulfonyl)methyl]benzene?
The molecular formula of 1-Methyl-2-[(phenylsulfonyl)methyl]benzene is C14H14O2S.
What is the molecular weight of 1-Methyl-2-[(phenylsulfonyl)methyl]benzene?
The molecular weight of 1-Methyl-2-[(phenylsulfonyl)methyl]benzene is 246.07 g/mol.
Where can I buy 1-Methyl-2-[(phenylsulfonyl)methyl]benzene?
You can request a quote for 1-Methyl-2-[(phenylsulfonyl)methyl]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-2-[(phenylsulfonyl)methyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-[(phenylsulfonyl)methyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.