1-Bromo-4-trifluoromethanesulfonylbenzene
TL;DR: 1-Bromo-4-trifluoromethanesulfonylbenzene (CAS 312-20-9) is a chemical compound with molecular formula C7H4BrF3O2S and molecular weight 287.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-(trifluoromethylsulfonyl)benzene
Also Known As: 1-bromo-4-[(trifluoromethyl)sulfonyl]benzene, 1-Bromo-4-((trifluoromethyl)sulfonyl)benzene, 1-bromo-4-(trifluoromethylsulfonyl)benzene, 1-bromo-4-trifluoromethanesulfonylbenzene, IFLab1_001126
| Molecular Formula | C7H4BrF3O2S |
|---|---|
| Molecular Weight | 287.91 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.90674 |
| Heavy Atoms | 14 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 312-20-9 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)C(F)(F)F)Br |
| InChIKey | BRNFLBCPGQCBQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-4-trifluoromethanesulfonylbenzene (CAS 312-20-9), with molecular formula C7H4BrF3O2S and molecular weight 287.91 g/mol. IUPAC: 1-bromo-4-(trifluoromethylsulfonyl)benzene.
Chemical Property Profile of 1-Bromo-4-trifluoromethanesulfonylbenzene
Property Insights of 1-Bromo-4-trifluoromethanesulfonylbenzene
The XLogP value of 3.4 indicates that 1-Bromo-4-trifluoromethanesulfonylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Bromo-4-trifluoromethanesulfonylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-trifluoromethanesulfonylbenzene has 0 hydrogen bond donor(s) and 5 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 1-Bromo-4-trifluoromethanesulfonylbenzene?
The CAS number of 1-Bromo-4-trifluoromethanesulfonylbenzene is 312-20-9.
What is the molecular formula of 1-Bromo-4-trifluoromethanesulfonylbenzene?
The molecular formula of 1-Bromo-4-trifluoromethanesulfonylbenzene is C7H4BrF3O2S.
What is the molecular weight of 1-Bromo-4-trifluoromethanesulfonylbenzene?
The molecular weight of 1-Bromo-4-trifluoromethanesulfonylbenzene is 287.91 g/mol.
Where can I buy 1-Bromo-4-trifluoromethanesulfonylbenzene?
You can request a quote for 1-Bromo-4-trifluoromethanesulfonylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-trifluoromethanesulfonylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-trifluoromethanesulfonylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.