Regorafenib metabolite M4

Base Information

Chemical Name:Regorafenib metabolite M4
CAS No.:1343498-72-5
Molecular Formula:C₂₀H₁₃ClF₄N₄O₃
Molecular Weight:468.795
Hs Code.:
UNII:58I22S7HYD
Wikidata:Q27261598
Mol file:1343498-72-5.mol

Synonyms:1343498-72-5;Regorafenib metabolite M4;BAY-751098;N-Desmethyl Regorafenib;UNII-58I22S7HYD;58I22S7HYD;4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)picolinamide;4-(4-((4-Chloro-3-(trifluoromethyl)phenyl)carbamoylamino)-3-fluoro-phenoxy)pyridine-2-carboxamide;2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)-3-fluorophenoxy)-;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;C20H13ClF4N4O3;SCHEMBL432444;UJAPQTJRMGFPQS-UHFFFAOYSA-N;AKOS040750712;BS-48500;F77336;Q27261598

Suppliers and Price of Regorafenib metabolite M4

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
N-Desmethyl Regorafenib
1mg
$ 460.00

TRC
N-DesmethylRegorafenib
250mg
$ 1455.00

TRC
N-DesmethylRegorafenib
25mg
$ 185.00

Total 10 raw suppliers

Chemical Property of Regorafenib metabolite M4

Chemical Property:

Melting Point:>195°C (dec.)
Boiling Point:496.8±45.0 °C(Predicted)
PKA:12.06±0.70(Predicted)
Density:1.552±0.06 g/cm3(Predicted)
Storage Temp.:-20°C Freezer
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:468.0612306
Heavy Atom Count:32
Complexity:671

Purity/Quality:

97% ^*data from raw suppliers

N-Desmethyl Regorafenib ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=C(C=C1NC(=O)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)N)F)C(F)(F)F)Cl
Uses N-Desmethyl Regorafenib is a synthetic metabolite of Regorafenib (R143000) and is used for treatment and prevention of cancer.

Technology Process of Regorafenib metabolite M4

There total 1 articles about Regorafenib metabolite M4 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: 75.0%