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Chemical structure of Tigolaner

GC70304

Tigolaner

Also known as 2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide

Tigolaner is a GABA antagonist that regulates chloride channel

ChemicalCAS1621436-41-6MW552.81FormulaC21H13ClF8N6O
CAS number
1621436-41-6
Molecular weight
552.81
Formula
C21H13ClF8N6O
Solubility
DMSO ： 25 mg/mL (45·22 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
TVAJZOVLQZNNCJ-UHFFFAOYSA-N
Catalogue number
GC70304
Brand
GLPBIO
Computed properties PubChem CID 77847513 · XLogP 4.7 · TPSA 88.5 Ų · H-bond donors 1
XLogP
4.7
TPSA
88.5 Ų
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
5
Heavy atoms
37

SMILES CN1C(=C(C(=N1)C(C(F)(F)F)(F)F)C(F)(F)F)N2C=C(C=N2)C3=CC(=C(C=C3)Cl)C(=O)NC4(CC4)C#N

Computed descriptors from PubChem (CID 77847513), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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