Sorafenib N-Oxide

Base Information

• Chemical Name: Sorafenib N-Oxide
• CAS No.: 583840-03-3
• Molecular Formula: C21H16ClF3N4O4
• Molecular Weight: 480.831
• UNII: 5XYK65KIGD
• DSSTox Substance ID: DTXSID60431376
• Nikkaji Number: J2.910.287B
• Wikidata: Q27263023
• Mol file: 583840-03-3.mol

Synonyms:4-(4-(3-(4-Chloro-3-trifluoromethylphenyl)ureido)phenoxy)pyridine-2-carboxylic acid methyamide-4-methylbenzenesulfonate;BAY 43 9006;BAY 43-9006;BAY 439006;BAY 545 9085;BAY 545-9085;BAY 5459085;BAY 673472;BAY-545-9085;BAY-673472;BAY5459085;Nexavar;sorafenib;Sorafenib N Oxide;sorafenib N-oxide;sorafenib tosylate

Chemical Property of Sorafenib N-Oxide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 220-222oC
• Refractive Index: 1.601
• Boiling Point: 591.655°C at 760 mmHg
• PKA: 12.89±0.70(Predicted)
• Flash Point: 311.622°C
• PSA: 104.92000
• Density: 1.455g/cm³
• LogP: 6.12010
• Storage Temp.: -20°C Freezer
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 480.0812172
• Heavy Atom Count: 33
• Complexity: 678

Purity/Quality:

95% ^*data from raw suppliers

Sorafenib N-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)C1=[N+](C=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[O-]
• Uses: A metabolite of Sorafenib, a potent Raf kinase inhibitor.

Technology Process of Sorafenib N-Oxide

There total 1 articles about Sorafenib N-Oxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 57.0%

sorafenib (284461-73-0) → BAY 67-3472 (583840-03-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; hexane; dichloromethane; acetone;

upstream raw materials:

sorafenib

Refernces

• 1、 -. "Pyridine, quinoline, and isoquinoline N-oxides as kinase inhibitors". . . Retrieved 2008/06/13.