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Dabrafenib-d9

CAT: 1596-AR-D01062-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D01062-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1423119-98-5
Synonyms
N- (3- (5- (2-aminopyrimidin-4-yl) -2- (tert-butyl) thiazol-4-yl) -2-fluorophenyl) -2,6-difluorobenzenesulfonamide-D9; N-[3-[5- (2-Amino-4-pyrimidinyl) -2-[1,1-di (methyl-d3) ethyl-2,2,2-d3]-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-benzenesulfonamide; GSK 2118436-d9; Tafinlar-d9
Molecular Formula
C23H11F3N5O2S2D9
Molecular Weight
528.62
API Name
Dabrafenib

Chemical Information

Dabrafenib-d9
CAS Number1423119-98-5
PubChem CID71607669
IUPAC NameN-[3-[5-(2-aminopyrimidin-4-yl)-2-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
Molecular FormulaC23H20F3N5O2S2
Molecular Weight528.6
XLogP4.8
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity817
SMILES
[2H]C([2H])([2H])C(C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChI
InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)/i1D3,2D3,3D3
InChIKey
BFSMGDJOXZAERB-GQALSZNTSA-N
Chemical Structure
2D Structure
2D structure of Dabrafenib-d9
CAS: 1423119-98-5
CID: 71607669
Formula: C23H20F3N5O2S2
MW: 528.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass528.15754244
Monoisotopic Mass528.15754244
Topological Polar Surface Area147 Ų
Heavy Atom Count35
Formal Charge0
Complexity817
Isotope Atom Count9
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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