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Isobavachin

CAT: 0013-GTR19170627-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19170627-02Size:1 ml x 10 mM (in DMSO)
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Description
Isobavachin
CAS Number
31524-62-6
Product Name Alternative
Inhibitor, inhibit, Isobavachin
Field of Research
Cell Biology, Metabolism Research, Signal Transduction
Purity
99.21% (May vary between batches)
Solubility
DMSO:59 mg/mL (181.89 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (6.17 mM)
Smiles
CC (C) =CCc1c (O) ccc2C (=O) C[C@H] (Oc12) c1ccc (O) cc1
Molecular Formula
C20H20O4
Molecular Weight
324.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isobavachin

Isobavachin is a member of flavanones.

CAS Number31524-62-6
PubChem CID193679
IUPAC Name(2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Molecular FormulaC20H20O4
Molecular Weight324.4
XLogP4.1
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity474
SMILES
CC(=CCC1=C(C=CC2=C1O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)C
InChI
InChI=1S/C20H20O4/c1-12(2)3-8-15-17(22)10-9-16-18(23)11-19(24-20(15)16)13-4-6-14(21)7-5-13/h3-7,9-10,19,21-22H,8,11H2,1-2H3/t19-/m0/s1
InChIKey
KYFBXCHUXFKMGQ-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of Isobavachin
CAS: 31524-62-6
CID: 193679
Formula: C20H20O4
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass324.13615911
Monoisotopic Mass324.13615911
Topological Polar Surface Area66.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TBZ2240Isobavachin
217583Neuronal Differentiation Inducer (Isobavachin, 7-hydroxy-2- (4-hydroxyphenyl) -8- (3-methylbut-2-enyl) chroman-4-one)

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