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Chemical structure of CRAC intermediate 2

GC30361

CRAC intermediate 2

Also known as 4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]aniline

CRAC intermediate 2 is a intermediate compound for CRAC inhibitor synthesis, extracted from patent WO 2013059666A1

ChemicalCAS123066-64-8MW295.18FormulaC11H7F6N3
CAS number
123066-64-8
Molecular weight
295.18
Formula
C11H7F6N3
Solubility
DMSO ： ≥ 52 mg/mL (176·16 mM)
InChIKey
XOXBUERZFCPKDR-UHFFFAOYSA-N
Catalogue number
GC30361
Brand
GLPBIO
Computed properties PubChem CID 2740668 · XLogP 3.1 · TPSA 43.8 Ų · H-bond donors 1
XLogP
3.1
TPSA
43.8 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
1
Heavy atoms
20

SMILES C1=CC(=CC=C1N)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F

Computed descriptors from PubChem (CID 2740668), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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