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(E) -CHBO4

CAT: 0013-GTR19249677-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249677-01Size:50 mg
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Description
(E) -CHBO4 is a potent and selective MAO-B inhibitor (IC50 = 23 nM), useful for investigating dopaminergic neuroprotection in Parkinson's disease research. Its application extends to in vitro enzyme assays and in vivo models exploring neurodegeneration and motor function.
CAS Number
126473-61-8
Field of Research
Neuroscience
Smiles
C (/C=C/C1=CC=C (F) C=C1) (=O) C2=CC=C (Br) C=C2
Molecular Formula
C15H10BrFO
Molecular Weight
305.142
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Fluoro-4'-bromochalcone
CAS Number126473-61-8
PubChem CID5376503
IUPAC Name(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
Molecular FormulaC15H10BrFO
Molecular Weight305.14
XLogP3.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity300
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)Br)F
InChI
InChI=1S/C15H10BrFO/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10H/b10-3+
InChIKey
JLKQXQSMJJGERH-XCVCLJGOSA-N
Chemical Structure
2D Structure
2D structure of 4-Fluoro-4'-bromochalcone
CAS: 126473-61-8
CID: 5376503
Formula: C15H10BrFO
MW: 305.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.14
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass303.98991
Monoisotopic Mass303.98991
Topological Polar Surface Area17.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity300
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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