Triflocin
TL;DR: Triflocin (CAS 13422-16-7) is a chemical compound with molecular formula C13H9F3N2O2 and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
Also Known As: TRIFLOCIN, Triflocine, Triflocinum, Triflocina, Triflocino
| Molecular Formula | C13H9F3N2O2 |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.0616 |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 13422-16-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C=NC=C2)C(=O)O)C(F)(F)F |
| InChIKey | NLBIKXOJCISNQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triflocin (CAS 13422-16-7), with molecular formula C13H9F3N2O2 and molecular weight 282.06 g/mol. IUPAC: 4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.
Chemical Property Profile of Triflocin
Property Insights of Triflocin
The XLogP value of 3.4 indicates that Triflocin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Triflocin. Following Lipinski's Rule of Five, Triflocin has 2 hydrogen bond donor(s) and 7 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 Triflocin?
The CAS number of Triflocin is 13422-16-7.
What is the molecular formula of Triflocin?
The molecular formula of Triflocin is C13H9F3N2O2.
What is the molecular weight of Triflocin?
The molecular weight of Triflocin is 282.06 g/mol.
Where can I buy Triflocin?
You can request a quote for Triflocin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triflocin?
Yes, KEHONG BIO provides custom synthesis services for Triflocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.