3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone
TL;DR: 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone (CAS 648858-85-9) is a chemical compound with molecular formula C9H5ClF6O2S and molecular weight 325.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethylsulfonyl)-3,5-bis(trifluoromethyl)benzene
Also Known As: 3,5-bis(trifluoromethyl)phenyl chloromethyl sulphone, 1-(chloromethylsulfonyl)-3,5-bis(trifluoromethyl)benzene, 1-chloromethanesulfonyl-3,5-bis(trifluoromethyl)benzene
| Molecular Formula | C9H5ClF6O2S |
|---|---|
| Molecular Weight | 325.96 g/mol |
| LogP | 3.6942 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.9603 |
| Heavy Atoms | 19 |
| Complexity | 543.10315 |
Chemical Identifiers
| CAS Number | 648858-85-9 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)CCl)C(F)(F)F |
Product Overview
3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone (CAS 648858-85-9), with molecular formula C9H5ClF6O2S and molecular weight 325.96 g/mol. IUPAC: 1-(chloromethylsulfonyl)-3,5-bis(trifluoromethyl)benzene.
Chemical Property Profile of 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone
Property Insights of 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone
The XLogP value of 3.6942 indicates that 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone 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 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone?
The CAS number of 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone is 648858-85-9.
What is the molecular formula of 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone?
The molecular formula of 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone is C9H5ClF6O2S.
What is the molecular weight of 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone?
The molecular weight of 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone is 325.96 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone?
You can request a quote for 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(trifluoromethyl)phenyl chloromethyl sulphone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.