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Verdantiol

CAT: 0013-GTR19198537-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198537-02Size:50 mg
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Description
Verdantiol is a naturally occurring flavanol compound. It is utilized in biochemical research to study flavonoid metabolism and antioxidant mechanisms, with applications in both in vitro assays and in vivo model systems.
CAS Number
91-51-0
Field of Research
Metabolism Research
Smiles
COC (=O) c1ccccc1N=CC (C) Cc1ccc (cc1) C (C) (C) C |w:10.10|
Molecular Formula
C22H27NO2
Molecular Weight
337.463
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 2-((3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropylidene)amino)benzoate
CAS Number91-51-0
PubChem CID121232773
IUPAC Namemethyl 2-[1-(4-tert-butylphenyl)propan-2-yldiazenyl]benzoate
Molecular FormulaC21H26N2O2
Molecular Weight338.4
XLogP5.9
Topological Polar Surface Area51
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity447
SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C)N=NC2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C21H26N2O2/c1-15(14-16-10-12-17(13-11-16)21(2,3)4)22-23-19-9-7-6-8-18(19)20(24)25-5/h6-13,15H,14H2,1-5H3
InChIKey
HCYRUADDKFDUII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-((3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropylidene)amino)benzoate
CAS: 91-51-0
CID: 121232773
Formula: C21H26N2O2
MW: 338.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass338.199428076
Monoisotopic Mass338.199428076
Topological Polar Surface Area51 Ų
Heavy Atom Count25
Formal Charge0
Complexity447
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T26318-01Verdantiol

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