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AI-1

CAT: 0013-GTR19154322-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154322-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AI-1
CAS Number
75483-04-4
Field of Research
Protein Biochemistry
Purity
>98%
Bioactivity
Nrf2 activator
Form
Powder
Solubility
Soluble in DMSO (up to 15 mg/ml) .
Molecular Formula
C13H12ClNO3
Molecular Weight
265.70
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
4-Chloro-1,2-dihydro-1-methyl-2-oxo-3-quinolinecarboxylic acid ethyl ester

Chemical Information

3-Quinolinecarboxylic acid, 1,2-dihydro-4-chloro-1-methyl-2-oxo-, ethyl ester
CAS Number75483-04-4
PubChem CID606180
IUPAC Nameethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate
Molecular FormulaC13H12ClNO3
Molecular Weight265.69
XLogP2.3
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity405
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)Cl
InChI
InChI=1S/C13H12ClNO3/c1-3-18-13(17)10-11(14)8-6-4-5-7-9(8)15(2)12(10)16/h4-7H,3H2,1-2H3
InChIKey
XUJQDJGGHFNYDY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Quinolinecarboxylic acid, 1,2-dihydro-4-chloro-1-methyl-2-oxo-, ethyl ester
CAS: 75483-04-4
CID: 606180
Formula: C13H12ClNO3
MW: 265.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.69
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass265.0505709
Monoisotopic Mass265.0505709
Topological Polar Surface Area46.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity405
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

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