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Venetoclax Impurity 42

CAT: 1459-CS-O-57520Size: 1 EachDry Ice: NoHazardous: No
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Description
Venetoclax Impurity 42 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-57520. 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
1257044-99-7
Synonyms
Venetoclax Impurity 42
Molecular Formula
C 39 H 38 Cl 2 N 6 O 6 S
Molecular Weight
789.7
Additionnal Information
Venetoclax Impurity 42 is supplied with detailed characterization data compliant with regulatory guideline. Venetoclax Impurity 42 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

N-[(4-Chloro-3-nitrophenyl)sulfonyl]-4-[4-[[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl]piperazin-1-yl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
CAS Number1257044-99-7
PubChem CID56591275
IUPAC NameN-(4-chloro-3-nitrophenyl)sulfonyl-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Molecular FormulaC39H38Cl2N6O6S
Molecular Weight789.7
XLogP7.7
Topological Polar Surface Area162
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count54
Formal Charge0
Complexity1470
SMILES
CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])OC6=CN=C7C(=C6)C=CN7)C
InChI
InChI=1S/C39H38Cl2N6O6S/c1-39(2)13-11-27(33(22-39)25-3-5-28(40)6-4-25)24-45-15-17-46(18-16-45)29-7-9-32(36(20-29)53-30-19-26-12-14-42-37(26)43-23-30)38(48)44-54(51,52)31-8-10-34(41)35(21-31)47(49)50/h3-10,12,14,19-21,23H,11,13,15-18,22,24H2,1-2H3,(H,42,43)(H,44,48)
InChIKey
KWKXRVXKPGIIBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(4-Chloro-3-nitrophenyl)sulfonyl]-4-[4-[[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl]piperazin-1-yl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
CAS: 1257044-99-7
CID: 56591275
Formula: C39H38Cl2N6O6S
MW: 789.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight789.7
XLogP37.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass788.1950595
Monoisotopic Mass788.1950595
Topological Polar Surface Area162 Ų
Heavy Atom Count54
Formal Charge0
Complexity1470
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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