2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene
TL;DR: 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene (CAS 886498-20-0) is a chemical compound with molecular formula C8H8ClFO2S and molecular weight 221.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-fluoro-4-(methylsulfonylmethyl)benzene
Also Known As: 3-Chloro-4-fluorobenzylmethylsulfone, 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene, 2-chloro-1-fluoro-4-(methylsulfonylmethyl)benzene
| Molecular Formula | C8H8ClFO2S |
|---|---|
| Molecular Weight | 221.99 g/mol |
| LogP | 2.0237 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.99176 |
| Heavy Atoms | 13 |
| Complexity | 414.15225 |
Chemical Identifiers
| CAS Number | 886498-20-0 |
|---|---|
| SMILES | CS(=O)(=O)CC1=CC(=C(C=C1)F)Cl |
Product Overview
2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene (CAS 886498-20-0), with molecular formula C8H8ClFO2S and molecular weight 221.99 g/mol. IUPAC: 2-chloro-1-fluoro-4-(methylsulfonylmethyl)benzene.
Chemical Property Profile of 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene
Property Insights of 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene
The XLogP value of 2.0237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene. With a topological polar surface area (TPSA) of 34.14 Ų, 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-fluoro-4-((methylsulfonyl)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 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene?
The CAS number of 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene is 886498-20-0.
What is the molecular formula of 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene?
The molecular formula of 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene is C8H8ClFO2S.
What is the molecular weight of 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene?
The molecular weight of 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene is 221.99 g/mol.
Where can I buy 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene?
You can request a quote for 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-fluoro-4-((methylsulfonyl)methyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.