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Abrocitinib Metabolite M1

CAT: 1459-CS-O-61927Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-61927Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Abrocitinib Metabolite M1 is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Abrocitinib. The product is supplied by Clearsynth under CAT No. CS-O-61927. 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
2744171-54-6
Synonyms
Abrocitinib Metabolite M1
Molecular Formula
C 14 H 21 N 5 O 3 S
Molecular Weight
339.41
Additionnal Information
Abrocitinib Metabolite M1 is supplied with detailed characterization data compliant with regulatory guideline. Abrocitinib Metabolite M1 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 Abrocitinib.
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

Hydroxy Abrocitinib
CAS Number2744171-54-6
PubChem CID162364434
IUPAC Name3-hydroxy-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]propane-1-sulfonamide
Molecular FormulaC14H21N5O3S
Molecular Weight339.42
XLogP0.5
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity491
SMILES
CN(C1CC(C1)NS(=O)(=O)CCCO)C2=NC=NC3=C2C=CN3
InChI
InChI=1S/C14H21N5O3S/c1-19(14-12-3-4-15-13(12)16-9-17-14)11-7-10(8-11)18-23(21,22)6-2-5-20/h3-4,9-11,18,20H,2,5-8H2,1H3,(H,15,16,17)
InChIKey
BUCWCFYDDFQXLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy Abrocitinib
CAS: 2744171-54-6
CID: 162364434
Formula: C14H21N5O3S
MW: 339.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.42
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass339.13651072
Monoisotopic Mass339.13651072
Topological Polar Surface Area120 Ų
Heavy Atom Count23
Formal Charge0
Complexity491
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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