1-(Difluoromethylsulfonyl)-4-methylbenzene
TL;DR: 1-(Difluoromethylsulfonyl)-4-methylbenzene (CAS 4837-17-6) is a chemical compound with molecular formula C8H8F2O2S and molecular weight 206.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(difluoromethylsulfonyl)-4-methylbenzene
Also Known As: 1-(difluoromethylsulfonyl)-4-methylbenzene, p-Tolyl-difluormethylsulfon, difluoromethyl 4-methylphenyl sulfone, Benzene, 1-[(difluoromethyl)sulfonyl]-4-methyl-, 1-((difluoromethyl)sulfonyl)-4-methylbenzene
| Molecular Formula | C8H8F2O2S |
|---|---|
| Molecular Weight | 206.02 g/mol |
| LogP | 1.99132 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0213 |
| Heavy Atoms | 13 |
| Complexity | 381.11 |
Chemical Identifiers
| CAS Number | 4837-17-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(F)F |
Product Overview
1-(Difluoromethylsulfonyl)-4-methylbenzene (CAS 4837-17-6), with molecular formula C8H8F2O2S and molecular weight 206.02 g/mol. IUPAC: 1-(difluoromethylsulfonyl)-4-methylbenzene.
Chemical Property Profile of 1-(Difluoromethylsulfonyl)-4-methylbenzene
Property Insights of 1-(Difluoromethylsulfonyl)-4-methylbenzene
The XLogP value of 1.99132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Difluoromethylsulfonyl)-4-methylbenzene. With a topological polar surface area (TPSA) of 34.14 Ų, 1-(Difluoromethylsulfonyl)-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Difluoromethylsulfonyl)-4-methylbenzene 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-(Difluoromethylsulfonyl)-4-methylbenzene?
The CAS number of 1-(Difluoromethylsulfonyl)-4-methylbenzene is 4837-17-6.
What is the molecular formula of 1-(Difluoromethylsulfonyl)-4-methylbenzene?
The molecular formula of 1-(Difluoromethylsulfonyl)-4-methylbenzene is C8H8F2O2S.
What is the molecular weight of 1-(Difluoromethylsulfonyl)-4-methylbenzene?
The molecular weight of 1-(Difluoromethylsulfonyl)-4-methylbenzene is 206.02 g/mol.
Where can I buy 1-(Difluoromethylsulfonyl)-4-methylbenzene?
You can request a quote for 1-(Difluoromethylsulfonyl)-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Difluoromethylsulfonyl)-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Difluoromethylsulfonyl)-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.