Acetic acid, trifluoro-, 4-bromophenyl ester
TL;DR: Acetic acid, trifluoro-, 4-bromophenyl ester (CAS 5672-84-4) is a chemical compound with molecular formula C8H4BrF3O2 and molecular weight 267.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) 2,2,2-trifluoroacetate
Also Known As: 4-Bromophenyl trifluoroacetate, p-Bromophenyl trifluoroacetate, 4-Bromophenyltrifluoroacetate, (4-bromophenyl) 2,2,2-trifluoroacetate, Acetic acid, trifluoro-, 4-bromophenyl ester
| Molecular Formula | C8H4BrF3O2 |
|---|---|
| Molecular Weight | 267.93 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.9347 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 5672-84-4 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(=O)C(F)(F)F)Br |
| InChIKey | WNDACGMBVBWZGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, trifluoro-, 4-bromophenyl ester (CAS 5672-84-4), with molecular formula C8H4BrF3O2 and molecular weight 267.93 g/mol. IUPAC: (4-bromophenyl) 2,2,2-trifluoroacetate.
Chemical Property Profile of Acetic acid, trifluoro-, 4-bromophenyl ester
Property Insights of Acetic acid, trifluoro-, 4-bromophenyl ester
The XLogP value of 3.5 indicates that Acetic acid, trifluoro-, 4-bromophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, trifluoro-, 4-bromophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, trifluoro-, 4-bromophenyl ester 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 Acetic acid, trifluoro-, 4-bromophenyl ester?
The CAS number of Acetic acid, trifluoro-, 4-bromophenyl ester is 5672-84-4.
What is the molecular formula of Acetic acid, trifluoro-, 4-bromophenyl ester?
The molecular formula of Acetic acid, trifluoro-, 4-bromophenyl ester is C8H4BrF3O2.
What is the molecular weight of Acetic acid, trifluoro-, 4-bromophenyl ester?
The molecular weight of Acetic acid, trifluoro-, 4-bromophenyl ester is 267.93 g/mol.
Where can I buy Acetic acid, trifluoro-, 4-bromophenyl ester?
You can request a quote for Acetic acid, trifluoro-, 4-bromophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, trifluoro-, 4-bromophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trifluoro-, 4-bromophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.