4-Bromophenyl triflate
TL;DR: 4-Bromophenyl triflate (CAS 129112-25-0) is a chemical compound with molecular formula C7H4BrF3O3S and molecular weight 303.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) trifluoromethanesulfonate
Also Known As: 4-Bromophenyl trifluoromethanesulfonate, 4-Bromophenyltriflate, 4-Bromophenyl triflate, (4-bromophenyl) trifluoromethanesulfonate, 4-Bromophenyl trifluoromethanesulphonate
| Molecular Formula | C7H4BrF3O3S |
|---|---|
| Molecular Weight | 303.90 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.90167 |
| Heavy Atoms | 15 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 129112-25-0 |
|---|---|
| SMILES | C1=CC(=CC=C1OS(=O)(=O)C(F)(F)F)Br |
| InChIKey | UNYUEWLAYXLXHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromophenyl triflate (CAS 129112-25-0), with molecular formula C7H4BrF3O3S and molecular weight 303.90 g/mol. IUPAC: (4-bromophenyl) trifluoromethanesulfonate.
Chemical Property Profile of 4-Bromophenyl triflate
Property Insights of 4-Bromophenyl triflate
The XLogP value of 3.4 indicates that 4-Bromophenyl triflate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Bromophenyl triflate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenyl triflate has 0 hydrogen bond donor(s) and 6 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 4-Bromophenyl triflate?
The CAS number of 4-Bromophenyl triflate is 129112-25-0.
What is the molecular formula of 4-Bromophenyl triflate?
The molecular formula of 4-Bromophenyl triflate is C7H4BrF3O3S.
What is the molecular weight of 4-Bromophenyl triflate?
The molecular weight of 4-Bromophenyl triflate is 303.90 g/mol.
Where can I buy 4-Bromophenyl triflate?
You can request a quote for 4-Bromophenyl triflate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenyl triflate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenyl triflate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.