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7,8-dihydrokawain

CAT: 1568-C14281Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C14281Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
587-63-3
Synonyms
Marindinin
SKU
C14281-1mg
Target
Sodium Channel
Applications
Transmembrane Transporters
Molecular Formula
C14H16O3
Additionnal Information
7,8-dihydrokawain (Marindinin) is a kavalactone source from kava beverages used in herbal medicine to treat sleep disturbances, as well as stress and anxiety.
Storage Conditions
3 years -20°C powder

Chemical Information

Dihydrokavain

Dihydrokavain is an aromatic ether and a member of 2-pyranones.

CAS Number587-63-3
PubChem CID10220256
IUPAC Name(2S)-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
Molecular FormulaC14H16O3
Molecular Weight232.27
XLogP2.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity290
SMILES
COC1=CC(=O)O[C@H](C1)CCC2=CC=CC=C2
InChI
InChI=1S/C14H16O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t12-/m0/s1
InChIKey
VOOYTQRREPYRIW-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Dihydrokavain
CAS: 587-63-3
CID: 10220256
Formula: C14H16O3
MW: 232.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.27
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass232.109944368
Monoisotopic Mass232.109944368
Topological Polar Surface Area35.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity290
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

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