8-Trifluoromethylquinoline-2,4-dicarboxylic acid
TL;DR: 8-Trifluoromethylquinoline-2,4-dicarboxylic acid (CAS 31008-98-7) is a chemical compound with molecular formula C12H6F3NO4 and molecular weight 285.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(trifluoromethyl)quinoline-2,4-dicarboxylic acid
Also Known As: 8-Trifluoromethylquinoline-2,4-dicarboxylic acid, 8-(trifluoromethyl)quinoline-2,4-dicarboxylic acid, 8-(Trifluoromethyl)-2,4-quinolinedicarboxylic acid #
| Molecular Formula | C12H6F3NO4 |
|---|---|
| Molecular Weight | 285.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.0249 |
| Heavy Atoms | 20 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 31008-98-7 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2C(=O)O)C(=O)O |
| InChIKey | GOVCCSQCIPLPHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Trifluoromethylquinoline-2,4-dicarboxylic acid (CAS 31008-98-7), with molecular formula C12H6F3NO4 and molecular weight 285.02 g/mol. IUPAC: 8-(trifluoromethyl)quinoline-2,4-dicarboxylic acid.
Chemical Property Profile of 8-Trifluoromethylquinoline-2,4-dicarboxylic acid
Property Insights of 8-Trifluoromethylquinoline-2,4-dicarboxylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Trifluoromethylquinoline-2,4-dicarboxylic acid. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Trifluoromethylquinoline-2,4-dicarboxylic acid. Following Lipinski's Rule of Five, 8-Trifluoromethylquinoline-2,4-dicarboxylic acid has 2 hydrogen bond donor(s) and 8 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 8-Trifluoromethylquinoline-2,4-dicarboxylic acid?
The CAS number of 8-Trifluoromethylquinoline-2,4-dicarboxylic acid is 31008-98-7.
What is the molecular formula of 8-Trifluoromethylquinoline-2,4-dicarboxylic acid?
The molecular formula of 8-Trifluoromethylquinoline-2,4-dicarboxylic acid is C12H6F3NO4.
What is the molecular weight of 8-Trifluoromethylquinoline-2,4-dicarboxylic acid?
The molecular weight of 8-Trifluoromethylquinoline-2,4-dicarboxylic acid is 285.02 g/mol.
Where can I buy 8-Trifluoromethylquinoline-2,4-dicarboxylic acid?
You can request a quote for 8-Trifluoromethylquinoline-2,4-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Trifluoromethylquinoline-2,4-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-Trifluoromethylquinoline-2,4-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.