2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride
TL;DR: 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride (CAS 54403-98-4) is a chemical compound with molecular formula C7H3BrClF3O2S and molecular weight 321.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-(trifluoromethyl)benzenesulfonyl chloride
Also Known As: 2-Bromo-4-(trifluoromethyl)benzene-1-sulfonyl chloride, 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride, ABLOCK AB-13-6537, BUTTPARK 146\11-59, 2-bromo-4-(trifluoromethyl)benzenesulfonylchloride
| Molecular Formula | C7H3BrClF3O2S |
|---|---|
| Molecular Weight | 321.87 g/mol |
| LogP | 3.3954 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.86777 |
| Heavy Atoms | 15 |
| Complexity | 483.49893 |
Chemical Identifiers
| CAS Number | 54403-98-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Br)S(=O)(=O)Cl |
Product Overview
2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride (CAS 54403-98-4), with molecular formula C7H3BrClF3O2S and molecular weight 321.87 g/mol. IUPAC: 2-bromo-4-(trifluoromethyl)benzenesulfonyl chloride.
Chemical Property Profile of 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride
Property Insights of 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride
The XLogP value of 3.3954 indicates that 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride 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-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride?
The CAS number of 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride is 54403-98-4.
What is the molecular formula of 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride?
The molecular formula of 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride is C7H3BrClF3O2S.
What is the molecular weight of 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride?
The molecular weight of 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride is 321.87 g/mol.
Where can I buy 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride?
You can request a quote for 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.