Talniflumate
TL;DR: Talniflumate (CAS 66898-62-2) is a chemical compound with molecular formula C21H13F3N2O4 and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxo-1H-2-benzofuran-1-yl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
Also Known As: Talniflumate, Somalgen, Talniflumato, Lomucin, Talniflumatum
| Molecular Formula | C21H13F3N2O4 |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.08273 |
| Heavy Atoms | 30 |
| Complexity | 644.0 |
| Melting Point | 177 |
| Boiling Point | 454 |
| Solubility | 5 |
Chemical Identifiers
| CAS Number | 66898-62-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)OC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F |
| InChIKey | ANMLJLFWUCQGKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Talniflumate (CAS 66898-62-2), with molecular formula C21H13F3N2O4 and molecular weight 414.08 g/mol. IUPAC: (3-oxo-1H-2-benzofuran-1-yl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate.
Chemical Property Profile of Talniflumate
Property Insights of Talniflumate
The XLogP value of 5.3 indicates that Talniflumate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Talniflumate. Following Lipinski's Rule of Five, Talniflumate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Talniflumate?
The CAS number of Talniflumate is 66898-62-2.
What is the molecular formula of Talniflumate?
The molecular formula of Talniflumate is C21H13F3N2O4.
What is the molecular weight of Talniflumate?
The molecular weight of Talniflumate is 414.08 g/mol.
Where can I buy Talniflumate?
You can request a quote for Talniflumate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Talniflumate?
Yes, KEHONG BIO provides custom synthesis services for Talniflumate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.