Products for Research Use Only

N-Desmethyl Sorafenib

CAT: 1459-CS-T-88587Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-88587Size:1 Each
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Description
N-Desmethyl Sorafenib is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Sorafenib. The product is supplied by Clearsynth under CAT No. CS-T-88587. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
284461-74-1
Synonyms
N-Desmethyl Sorafenib
Molecular Formula
C 20 H 14 ClF 3 N 4 O 3
Molecular Weight
450.8
Additionnal Information
N-Desmethyl Sorafenib is supplied with detailed characterization data compliant with regulatory guideline. N-Desmethyl Sorafenib can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Sorafenib.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

N-Desmethyl sorafenib
CAS Number284461-74-1
PubChem CID10151557
IUPAC Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
Molecular FormulaC20H14ClF3N4O3
Molecular Weight450.8
XLogP3.7
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity631
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)OC3=CC(=NC=C3)C(=O)N
InChI
InChI=1S/C20H14ClF3N4O3/c21-16-6-3-12(9-15(16)20(22,23)24)28-19(30)27-11-1-4-13(5-2-11)31-14-7-8-26-17(10-14)18(25)29/h1-10H,(H2,25,29)(H2,27,28,30)
InChIKey
UAEWBZYTKIMYRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Desmethyl sorafenib
CAS: 284461-74-1
CID: 10151557
Formula: C20H14ClF3N4O3
MW: 450.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight450.8
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass450.0706525
Monoisotopic Mass450.0706525
Topological Polar Surface Area106 Ų
Heavy Atom Count31
Formal Charge0
Complexity631
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes