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Chemical structure of Bifendate

GC39348

Bifendate

Also known as methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate

Bifendate (DDB) is a synthetic intermediate of Schisandrin C with anti-HBV efficacy in research of chronic hepatitis B

ChemicalCAS73536-69-3MW418.35FormulaC20H18O10
CAS number
73536-69-3
Molecular weight
418.35
Formula
C20H18O10
Solubility
DMSO: 50 mg/mL (119·52 mM); Water: < 0·1 mg/mL (insoluble)
InChIKey
JMZOMFYRADAWOG-UHFFFAOYSA-N
Catalogue number
GC39348
Brand
GLPBIO
Computed properties PubChem CID 108213 · XLogP 2.8 · TPSA 108 Ų · H-bond donors 0
XLogP
2.8
TPSA
108 Ų
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
30

SMILES COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2

Computed descriptors from PubChem (CID 108213), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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