Products for Research Use Only

Venetoclax Impurity 6

CAT: 1459-CS-T-82852Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-82852Size:1 Each
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Description
Venetoclax Impurity 6 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-T-82852. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
3-Nitro-4- (((tetrahydro-2H-pyran-4-yl) methyl) amino) benzenesulfonamide is a reagent used in the synthesis of BTK, PI3K and JAK-2 inhibitors.
CAS Number
1228779-96-1
Synonyms
Venetoclax Impurity 6
Molecular Formula
C 12 H 17 N 3 O 5 S
Molecular Weight
315.35
Additionnal Information
Venetoclax Impurity 6 is supplied with detailed characterization data compliant with regulatory guideline. Venetoclax Impurity 6 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
3-Nitro-4- (((tetrahydro-2H-pyran-4-yl) methyl) amino) benzenesulfonamide is a reagent used in the synthesis of BTK, PI3K and JAK-2 inhibitors.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

3-Nitro-4-(((tetrahydro-2H-pyran-4-yl) methyl)amino) benzene sulfonamide
CAS Number1228779-96-1
PubChem CID57474953
IUPAC Name3-nitro-4-(oxan-4-ylmethylamino)benzenesulfonamide
Molecular FormulaC12H17N3O5S
Molecular Weight315.35
XLogP1.4
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity452
SMILES
C1COCCC1CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C12H17N3O5S/c13-21(18,19)10-1-2-11(12(7-10)15(16)17)14-8-9-3-5-20-6-4-9/h1-2,7,9,14H,3-6,8H2,(H2,13,18,19)
InChIKey
HNQRHNYBVWICKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Nitro-4-(((tetrahydro-2H-pyran-4-yl) methyl)amino) benzene sulfonamide
CAS: 1228779-96-1
CID: 57474953
Formula: C12H17N3O5S
MW: 315.35
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight315.35
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass315.08889182
Monoisotopic Mass315.08889182
Topological Polar Surface Area136 Ų
Heavy Atom Count21
Formal Charge0
Complexity452
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