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Quinabactin

CAT: 0013-GTR19199739-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199739-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Quinabactin
CAS Number
946270-26-4
Product Name Alternative
AM 1, AM1, AM-1, abscisic acid, ABA mimics 1, LC66C6, LC-66C6, LC 66C6, Quinabactin
Field of Research
Pharmacology & Drug Discovery
Purity
99.63% (May vary between batches)
Solubility
DMSO:55 mg/mL (147.66 mM)
Smiles
CCCN1C (=O) CCC2=C1C=CC (NS (=O) (=O) CC1=CC=C (C) C=C1) =C2
Molecular Formula
C20H24N2O3S
Molecular Weight
372.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Quinabactin
CAS Number946270-26-4
PubChem CID16927350
IUPAC Name1-(4-methylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
Molecular FormulaC20H24N2O3S
Molecular Weight372.5
XLogP3
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity578
SMILES
CCCN1C(=O)CCC2=C1C=CC(=C2)NS(=O)(=O)CC3=CC=C(C=C3)C
InChI
InChI=1S/C20H24N2O3S/c1-3-12-22-19-10-9-18(13-17(19)8-11-20(22)23)21-26(24,25)14-16-6-4-15(2)5-7-16/h4-7,9-10,13,21H,3,8,11-12,14H2,1-2H3
InChIKey
IVHKSUMLZQXFPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinabactin
CAS: 946270-26-4
CID: 16927350
Formula: C20H24N2O3S
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass372.15076381
Monoisotopic Mass372.15076381
Topological Polar Surface Area74.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity578
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
MBS5774441Quinabactin

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