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Balazipone

CAT: 0013-GTR19195465-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195465-01Size:25 mg
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Description
Balazipone is a bioactive small molecule compound utilized in biochemical research. It serves as a tool compound in pharmacological studies, with applications in both in vitro enzyme assays and in vivo models for investigating specific biological pathways.
CAS Number
137109-71-8
Smiles
N#CC1=CC=CC (=C1) C=C (C (=O) C) C (=O) C
Molecular Formula
C13H11NO2
Molecular Weight
213.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Balazipone

Balazipone is a small molecule drug. Balazipone has a monoisotopic molecular weight of 213.08 Da.

CAS Number137109-71-8
PubChem CID179347
IUPAC Name3-(2-acetyl-3-oxobut-1-enyl)benzonitrile
Molecular FormulaC13H11NO2
Molecular Weight213.23
XLogP1.4
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity357
SMILES
CC(=O)C(=CC1=CC(=CC=C1)C#N)C(=O)C
InChI
InChI=1S/C13H11NO2/c1-9(15)13(10(2)16)7-11-4-3-5-12(6-11)8-14/h3-7H,1-2H3
InChIKey
WXGVASWIUBFCHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Balazipone
CAS: 137109-71-8
CID: 179347
Formula: C13H11NO2
MW: 213.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.23
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass213.078978594
Monoisotopic Mass213.078978594
Topological Polar Surface Area57.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity357
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-105671Balazipone

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