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Rac-BHFF

CAT: 0013-GTR19160991-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160991-02Size:5 mg
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Description
Rac-BHFF is potent and selective GABA B receptor positive allosteric modulator that increases the potency and efficacy of GABA (> 15-fold and > 149% respectively) . It exhibits anxiolytic activity in vivo and is orally active.
CAS Number
123557-91-5
Field of Research
Signal Transduction
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (302.72 mM)
Smiles
CC (C) (C) c1cc (c2c (c1) C (C (=O) O2) (C (F) (F) F) O) C (C) (C) C
Molecular Formula
C17H21F3O3
Molecular Weight
330.34
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(R,S)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3H-benzofuran-2-one

a positive allosteric modulator of GABAB receptors; structure in first source

CAS Number123557-91-5
PubChem CID4332683
IUPAC Name5,7-ditert-butyl-3-hydroxy-3-(trifluoromethyl)-1-benzofuran-2-one
Molecular FormulaC17H21F3O3
Molecular Weight330.34
XLogP5.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity487
SMILES
CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OC(=O)C2(C(F)(F)F)O
InChI
InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3
InChIKey
RVNOANDLZIIFHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (R,S)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3H-benzofuran-2-one
CAS: 123557-91-5
CID: 4332683
Formula: C17H21F3O3
MW: 330.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.34
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass330.14427901
Monoisotopic Mass330.14427901
Topological Polar Surface Area46.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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