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Venetoclax fluoro impurity

CAT: 1459-CS-O-44362Size: 1 EachDry Ice: NoHazardous: No
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Description
Venetoclax fluoro impurity is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Venetoclax. The product is supplied by Clearsynth under CAT No. CS-O-44362. 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
2573767-90-3
Synonyms
Venetoclax fluoro impurity
Molecular Formula
C 26 H 24 FN 5 O 7 S
Molecular Weight
569.6
Additionnal Information
Venetoclax fluoro impurity is supplied with detailed characterization data compliant with regulatory guideline. Venetoclax fluoro impurity 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 Venetoclax.
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

2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-fluoro-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide
CAS Number2573767-90-3
PubChem CID152101911
IUPAC Name4-fluoro-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Molecular FormulaC26H24FN5O7S
Molecular Weight569.6
XLogP4.3
Topological Polar Surface Area177
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity989
SMILES
C1COCCC1CNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=C(C=C(C=C3)F)OC4=CN=C5C(=C4)C=CN5)[N+](=O)[O-]
InChI
InChI=1S/C26H24FN5O7S/c27-18-1-3-21(24(12-18)39-19-11-17-5-8-28-25(17)30-15-19)26(33)31-40(36,37)20-2-4-22(23(13-20)32(34)35)29-14-16-6-9-38-10-7-16/h1-5,8,11-13,15-16,29H,6-7,9-10,14H2,(H,28,30)(H,31,33)
InChIKey
VBKSKFNEYNWCJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-fluoro-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide
CAS: 2573767-90-3
CID: 152101911
Formula: C26H24FN5O7S
MW: 569.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.6
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass569.13804746
Monoisotopic Mass569.13804746
Topological Polar Surface Area177 Ų
Heavy Atom Count40
Formal Charge0
Complexity989
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

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