Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)-
TL;DR: Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)- (CAS 828270-66-2) is a chemical compound with molecular formula C8H9FO2S and molecular weight 188.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-1-methyl-2-methylsulfonylbenzene
Also Known As: 4-Fluoro-2-(methylsulfonyl)toluene, 4-fluoro-1-methyl-2-methylsulfonylbenzene, Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)-, 4-fluoro-1-methyl-2-(methylsulfonyl)Benzene, 4-fluoro-1-methyl-2-methylsulfonyl-benzene
| Molecular Formula | C8H9FO2S |
|---|---|
| Molecular Weight | 188.03 g/mol |
| LogP | 1.53762 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.03073 |
| Heavy Atoms | 12 |
| Complexity | 395.51892 |
Chemical Identifiers
| CAS Number | 828270-66-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)S(=O)(=O)C |
Product Overview
Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)- (CAS 828270-66-2), with molecular formula C8H9FO2S and molecular weight 188.03 g/mol. IUPAC: 4-fluoro-1-methyl-2-methylsulfonylbenzene.
Chemical Property Profile of Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)-
Property Insights of Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)-
The XLogP value of 1.53762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)-. With a topological polar surface area (TPSA) of 34.14 Ų, Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)- 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 Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)-?
The CAS number of Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)- is 828270-66-2.
What is the molecular formula of Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)-?
The molecular formula of Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)- is C8H9FO2S.
What is the molecular weight of Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)-?
The molecular weight of Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)- is 188.03 g/mol.
Where can I buy Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)-?
You can request a quote for Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 4-fluoro-1-methyl-2-(methylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.