5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid
TL;DR: 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid (CAS 302911-88-2) is a chemical compound with molecular formula C12H6ClF3O3 and molecular weight 290.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid
Also Known As: 5-[2-Chloro-5-(trifluoromethyl)phenyl]-2-furoic acid, 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxylic Acid, 5-(2-CHLORO-5- -&, 5-(2-Chloro-5-(trifluoromethyl)phenyl)furan-2-carboxylic acid, 5-[2-Chloro-5-(trifluoromethyl)phenyl]-2-furancarboxylic acid
| Molecular Formula | C12H6ClF3O3 |
|---|---|
| Molecular Weight | 290.00 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.99576 |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 302911-88-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)C2=CC=C(O2)C(=O)O)Cl |
| InChIKey | SSIFVNBQAZVYCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid (CAS 302911-88-2), with molecular formula C12H6ClF3O3 and molecular weight 290.00 g/mol. IUPAC: 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid.
Chemical Property Profile of 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid
Property Insights of 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid
The XLogP value of 4.0 indicates that 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid has 1 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 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid?
The CAS number of 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid is 302911-88-2.
What is the molecular formula of 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid?
The molecular formula of 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid is C12H6ClF3O3.
What is the molecular weight of 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid?
The molecular weight of 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid is 290.00 g/mol.
Where can I buy 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid?
You can request a quote for 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.