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Chemical structure of (2R,3R)-Firazorexton

GC70784

(2R,3R)-Firazorexton

Also known as N-[(2R,3R)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide

(2R,3R)-Firazorexton ((2R,3R)-TAK-994 free base) is an isomer of Firazorexton

ChemicalCAS2692692-00-3MW470.51FormulaC22H25F3N2O4S
CAS number
2692692-00-3
Molecular weight
470.51
Formula
C22H25F3N2O4S
Solubility
DMSO ： 200 mg/mL (425·07 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
VOSAWOSMGPKQEQ-RTBURBONSA-N
Catalogue number
GC70784
Brand
GLPBIO
Computed properties PubChem CID 169450759 · XLogP 2.9 · TPSA 95.1 Ų · H-bond donors 2
XLogP
2.9
TPSA
95.1 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
32

SMILES CC(C)(C(=O)N1CC[C@H]([C@H]1CC2=C(C(=CC=C2)C3=CC(=CC(=C3)F)F)F)NS(=O)(=O)C)O

Computed descriptors from PubChem (CID 169450759), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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