2-Chloro-6-fluorobenzylmethylsulfone
TL;DR: 2-Chloro-6-fluorobenzylmethylsulfone (CAS 20018-05-7) 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.
1-chloro-3-fluoro-2-(methylsulfonylmethyl)benzene
Also Known As: 2-Chloro-6-fluorobenzylmethylsulfone, 1-chloro-3-fluoro-2-(methylsulfonylmethyl)benzene, 1-chloro-3-fluoro-2-(methanesulfonylmethyl)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 | 393.90225 |
Chemical Identifiers
| CAS Number | 20018-05-7 |
|---|---|
| SMILES | CS(=O)(=O)CC1=C(C=CC=C1Cl)F |
Product Overview
2-Chloro-6-fluorobenzylmethylsulfone (CAS 20018-05-7), with molecular formula C8H8ClFO2S and molecular weight 221.99 g/mol. IUPAC: 1-chloro-3-fluoro-2-(methylsulfonylmethyl)benzene.
Chemical Property Profile of 2-Chloro-6-fluorobenzylmethylsulfone
Property Insights of 2-Chloro-6-fluorobenzylmethylsulfone
The XLogP value of 2.0237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-fluorobenzylmethylsulfone. With a topological polar surface area (TPSA) of 34.14 Ų, 2-Chloro-6-fluorobenzylmethylsulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-fluorobenzylmethylsulfone 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-6-fluorobenzylmethylsulfone?
The CAS number of 2-Chloro-6-fluorobenzylmethylsulfone is 20018-05-7.
What is the molecular formula of 2-Chloro-6-fluorobenzylmethylsulfone?
The molecular formula of 2-Chloro-6-fluorobenzylmethylsulfone is C8H8ClFO2S.
What is the molecular weight of 2-Chloro-6-fluorobenzylmethylsulfone?
The molecular weight of 2-Chloro-6-fluorobenzylmethylsulfone is 221.99 g/mol.
Where can I buy 2-Chloro-6-fluorobenzylmethylsulfone?
You can request a quote for 2-Chloro-6-fluorobenzylmethylsulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-fluorobenzylmethylsulfone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-fluorobenzylmethylsulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.