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Tazarotene Sulfone

CAT: 1596-AR-T01230-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T01230-01Size:10 Units
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CAS Number
1262228-27-2
Synonyms
Ethyl 6- ((4,4-dimethyl-1,1-dioxidothiochroman-6-yl) ethynyl) nicotinate; Ethyl 6- ((4,4-dimethyl-1,1-dioxidothiochroman-6-yl) ethynyl) nicotinate; Ethyl Ester 6-[2- (3,4-Dihydro-4,4-dimethyl-1,1-dioxido-2H-1-benzothiopyran-6-yl) ethynyl]-3-pyridinecarboxylic Acid; Tazarotene Sulphone
Molecular Formula
C21H21NO4S
Molecular Weight
383.47
API Name
Tazarotene

Chemical Information

Tazarotene Sulfone
CAS Number1262228-27-2
PubChem CID67494879
IUPAC Nameethyl 6-[2-(4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate
Molecular FormulaC21H21NO4S
Molecular Weight383.5
XLogP3.6
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity724
SMILES
CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)S(=O)(=O)CCC3(C)C
InChI
InChI=1S/C21H21NO4S/c1-4-26-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-27(19,24)25/h6-7,9-10,13-14H,4,11-12H2,1-3H3
InChIKey
SJFOIGKIUMLIQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tazarotene Sulfone
CAS: 1262228-27-2
CID: 67494879
Formula: C21H21NO4S
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass383.11912932
Monoisotopic Mass383.11912932
Topological Polar Surface Area81.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity724
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

Related Products

CatalogName
AR-T01224-01Tazarotene
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AR-T06336-01Tazarotene-d8
AR-T04054-01Tazarotene Impurity 8
AR-T01232-01Tazarotene Impurity 2
AR-T01235-01Tazarotene Thiochromane Dimer
AR-T04052-01Tazarotene Impurity 6
AR-T04053-01Tazarotene Impurity 7

Alternative Products

CatalogName
TRC-T010080-25MGTazarotene Sulfone
sc-472918Tazarotene Sulfone-d8
TBW00039Tazarotene

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