3,5-Bis(trifluoromethyl)benzenesulphonyl chloride
TL;DR: 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride (CAS 39234-86-1) is a chemical compound with molecular formula C8H3ClF6O2S and molecular weight 311.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(trifluoromethyl)benzenesulfonyl chloride
Also Known As: 3,5-Bis(trifluoromethyl)benzenesulfonyl chloride, 3,5-Bis(Trifluoromethyl)Benzene-1-Sulfonyl Chloride, null, 2pco, 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride
| Molecular Formula | C8H3ClF6O2S |
|---|---|
| Molecular Weight | 311.94 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.94464 |
| Heavy Atoms | 18 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 39234-86-1 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)Cl)C(F)(F)F |
| InChIKey | BTRCVKADYDVSLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Bis(trifluoromethyl)benzenesulphonyl chloride (CAS 39234-86-1), with molecular formula C8H3ClF6O2S and molecular weight 311.94 g/mol. IUPAC: 3,5-bis(trifluoromethyl)benzenesulfonyl chloride.
Chemical Property Profile of 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride
Property Insights of 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride
The XLogP value of 4.3 indicates that 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride has 0 hydrogen bond donor(s) and 8 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)benzenesulphonyl chloride?
The CAS number of 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride is 39234-86-1.
What is the molecular formula of 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride?
The molecular formula of 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride is C8H3ClF6O2S.
What is the molecular weight of 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride?
The molecular weight of 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride is 311.94 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride?
You can request a quote for 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride 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)benzenesulphonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.