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Chemical structure of Bay 59-3074

GC19060

Bay 59-3074

Also known as [3-[2-cyano-3-(trifluoromethyl)phenoxy]phenyl] 4,4,4-trifluorobutane-1-sulfonate

Bay 59-3074 is a novel, selective CB1/CB2 receptor partial agonist with Ki values of 48·3 and 45·5 nM at human CB1 and CB2 receptors respectively

ChemicalCAS406205-74-1MW453.36FormulaC18H13F6NO4S
CAS number
406205-74-1
Molecular weight
453.36
Formula
C18H13F6NO4S
Solubility
DMSO ： ≥ 34 mg/mL (75·00 mM)
InChIKey
LWUSZIVDPJPVBW-UHFFFAOYSA-N
Catalogue number
GC19060
Brand
GLPBIO
Computed properties PubChem CID 10479060 · XLogP 5.4 · TPSA 84.8 Ų · H-bond donors 0
XLogP
5.4
TPSA
84.8 Ų
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
30

SMILES C1=CC(=CC(=C1)OS(=O)(=O)CCCC(F)(F)F)OC2=CC=CC(=C2C#N)C(F)(F)F

Computed descriptors from PubChem (CID 10479060), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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