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Chemical structure of KF21213

GC31217

KF21213

Also known as 8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione

KF21213 is a highly selective ligand for mapping CNS adenosine A2A receptors

ChemicalCAS155271-17-3MW354.4FormulaC19H22N4O3
CAS number
155271-17-3
Molecular weight
354.4
Formula
C19H22N4O3
Solubility
Soluble in DMSO
InChIKey
SDHWMROLJYZHCX-CSKARUKUSA-N
Catalogue number
GC31217
Brand
GLPBIO
Computed properties PubChem CID 6448866 · XLogP 2.6 · TPSA 67.7 Ų · H-bond donors 0
XLogP
2.6
TPSA
67.7 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26

SMILES CC1=C(C=CC(=C1C)OC)/C=C/C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Computed descriptors from PubChem (CID 6448866), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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