4'-Bromophenacyl triflate
TL;DR: 4'-Bromophenacyl triflate (CAS 990-83-0) is a chemical compound with molecular formula C9H6BrF3O4S and molecular weight 345.91223 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-bromophenyl)-2-oxoethyl] trifluoromethanesulfonate
Also Known As: 4-Bromophenacyl triflate, BPTSE, 4'-Bromophenacyl triflate, 4-Bromophenacyl-trifluoromethanesulfonate, 4-Bromophenacyltriflate
Technical Specifications
| Molecular Formula | C9H6BrF3O4S |
| Molecular Weight | 345.91223 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.91223 Da |
| Heavy Atoms | 18 |
| Complexity | 393.0 |
| SMILES | C1=CC(=CC=C1C(=O)COS(=O)(=O)C(F)(F)F)Br |
| InChIKey | YMYKWFCLILHEJB-UHFFFAOYSA-N |
Product Description
Applications: 4'-Bromophenacyl triflate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4'-Bromophenacyl triflate (CAS 990-83-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4'-Bromophenacyl triflate (CAS 990-83-0) is a fine chemical with the molecular formula C9H6BrF3O4S and a molecular weight of 345.91 g/mol. It is also known as 4-Bromophenacyl triflate and BPTSE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4'-Bromophenacyl triflate
Property Insights of 4'-Bromophenacyl triflate
The XLogP value of 3.0 indicates that 4'-Bromophenacyl triflate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Bromophenacyl triflate. Following Lipinski's Rule of Five, 4'-Bromophenacyl triflate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4'-Bromophenacyl triflate?
The CAS number of 4'-Bromophenacyl triflate is 990-83-0.
What is the molecular formula of 4'-Bromophenacyl triflate?
The molecular formula of 4'-Bromophenacyl triflate is C9H6BrF3O4S.
What is the molecular weight of 4'-Bromophenacyl triflate?
The molecular weight of 4'-Bromophenacyl triflate is 345.91223 g/mol.
What are the applications of 4'-Bromophenacyl triflate?
4'-Bromophenacyl triflate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4'-Bromophenacyl triflate (CAS 990-83-0) with custom synthesis available from milligram to multi-kilogram scale, supported by...
Where can I buy 4'-Bromophenacyl triflate?
You can request a quote for 4'-Bromophenacyl triflate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Bromophenacyl triflate?
Yes, CoreyChem provides custom synthesis services for 4'-Bromophenacyl triflate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.