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Chemical structure of (S)-BAY 73-6691

GC70237

(S)-BAY 73-6691

Also known as 1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

(S)-BAY 73-6691 is the isomer of BAY 73-6691 , and can be used as an experimental control

ChemicalCAS794568-91-5MW356.73FormulaC15H12ClF3N4O
CAS number
794568-91-5
Molecular weight
356.73
Formula
C15H12ClF3N4O
Solubility
DMSO ： 100 mg/mL (280·32 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
FFPXPXOAFQCNBS-QMMMGPOBSA-N
Catalogue number
GC70237
Brand
GLPBIO
Computed properties PubChem CID 135566505 · XLogP 3.5 · TPSA 59.3 Ų · H-bond donors 1
XLogP
3.5
TPSA
59.3 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24

SMILES C[C@@H](CC1=NC2=C(C=NN2C3=CC=CC=C3Cl)C(=O)N1)C(F)(F)F

Computed descriptors from PubChem (CID 135566505), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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