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HMAO-B-IN-5

CAT: 0013-GTR19243739-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243739-01Size:500 mg
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Description
HMAO-B-IN-5 (B15) is a potent, selective and reversible inhibitor of human monoamine oxidase hMAO-B with IC50 of 0.12 μM. hMAO-B-IN-5 can pass through the blood-brain barrier and can be used in the research of neurodegenerative diseases.
CAS Number
358343-63-2
Purity
>98% (HPLC)
Smiles
CCOC1=CC=C (C=C1) C (=O) \C=C\C1=CC=C (OCC2=CC=CC=C2) C=C1
Molecular Formula
C24H22O3
Molecular Weight
358.43
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(2E)-3-[4-(Benzyloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CAS Number358343-63-2
PubChem CID5346401
IUPAC Name(E)-1-(4-ethoxyphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
Molecular FormulaC24H22O3
Molecular Weight358.4
XLogP5.5
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity450
SMILES
CCOC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C24H22O3/c1-2-26-22-15-11-21(12-16-22)24(25)17-10-19-8-13-23(14-9-19)27-18-20-6-4-3-5-7-20/h3-17H,2,18H2,1H3/b17-10+
InChIKey
DZBMIWJIJRIBEG-LICLKQGHSA-N
Chemical Structure
2D Structure
2D structure of (2E)-3-[4-(Benzyloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CAS: 358343-63-2
CID: 5346401
Formula: C24H22O3
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass358.15689456
Monoisotopic Mass358.15689456
Topological Polar Surface Area35.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity450
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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