5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid
TL;DR: 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid (CAS 229957-02-2) is a chemical compound with molecular formula C12H6BrF3O3 and molecular weight 333.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid
Also Known As: 5-(4-Bromophenyl)-2-(trifluoromethyl)-3-furoic acid, 1-n-octadecylpyrrole, Maybridge1_008413, 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid, BUTTPARK 97\12-09
| Molecular Formula | C12H6BrF3O3 |
|---|---|
| Molecular Weight | 333.95 g/mol |
| LogP | 4.4261 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.94525 |
| Heavy Atoms | 19 |
| Complexity | 614.14014 |
Chemical Identifiers
| CAS Number | 229957-02-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=C(O2)C(F)(F)F)C(=O)O)Br |
Product Overview
5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid (CAS 229957-02-2), with molecular formula C12H6BrF3O3 and molecular weight 333.95 g/mol. IUPAC: 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid.
Chemical Property Profile of 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid
Property Insights of 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid
The XLogP value of 4.4261 indicates that 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid has 1 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 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid?
The CAS number of 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid is 229957-02-2.
What is the molecular formula of 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid?
The molecular formula of 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid is C12H6BrF3O3.
What is the molecular weight of 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid?
The molecular weight of 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid is 333.95 g/mol.
Where can I buy 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid?
You can request a quote for 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.