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Chemical structure of CRAC intermediate 1

GC31852

CRAC intermediate 1

Also known as 2,6-difluoro-N-(1H-pyrazol-5-yl)benzamide

CRAC intermediate 1 is a key intermediate in the chemical synthesis of a series of CRAC channel inhibitors, detailed information can be found in Patent WO 2010122089 A1, intermediate 9

ChemicalCAS1249343-86-9MW223.18FormulaC10H7F2N3O
CAS number
1249343-86-9
Molecular weight
223.18
Formula
C10H7F2N3O
Solubility
DMSO : ≥ 50 mg/mL (224·03 mM)
InChIKey
UMBVHXNGQIFPCN-UHFFFAOYSA-N
Catalogue number
GC31852
Brand
GLPBIO
Computed properties PubChem CID 59547942 · XLogP 1.6 · TPSA 57.8 Ų · H-bond donors 2
XLogP
1.6
TPSA
57.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16

SMILES C1=CC(=C(C(=C1)F)C(=O)NC2=CC=NN2)F

Computed descriptors from PubChem (CID 59547942), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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