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Screening compounds

Cajanone

Also known as 2H,6H-Benzo(1,2-b:5,4-b')dipyran-6-one, 7-(2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl)-7,8-dihydro-5-hydroxy-2,2-dimethyl-, 7-(2,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl)-7,8-dihydro-5-hydroxy-2,2-dimethyl-2H,6H-benzo(1,2-b:5,4-b')dipyran-6-one, 7-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one

CAS 63006-48-4Formula C25H26O6Molar mass 422.48 g/mol
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Cajanone chemical structure, C25H26O6, CAS 63006-48-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
63006-48-4
Formula
C25H26O6
Molar mass
422.48 g/mol
HS code
293299
Category
Screening compounds

What is Cajanone?

Plain description, key identifiers and synonyms

Cajanone is a member of isoflavanones.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CAS number
63006-48-4
Molecular formula
C25H26O6
UNII
MHB9Z7D6GS
InChIKey
BAKSOIVZFARRJC-UHFFFAOYSA-N
InChI
InChI=1S/C25H26O6/c1-13(2)5-6-14-9-16(19(27)10-18(14)26)17-12-30-21-11-20-15(7-8-25(3,4)31-20)23(28)22(21)24(17)29/h5,7-11,17,26-28H,6,12H2,1-4H3
SMILES (canonical and isomeric)
CC(=CCC1=CC(=C(C=C1O)O)C2COC3=C(C2=O)C(=C4C=CC(OC4=C3)(C)C)O)C

Synonyms

  • 2H,6H-Benzo(1,2-b:5,4-b')dipyran-6-one, 7-(2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl)-7,8-dihydro-5-hydroxy-2,2-dimethyl-
  • 7-(2,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl)-7,8-dihydro-5-hydroxy-2,2-dimethyl-2H,6H-benzo(1,2-b:5,4-b')dipyran-6-one
  • 7-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
  • 7-(2,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl)-5-hydroxy-2,2-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one
  • 7-[2,4-Dihydroxy-5- (3-methyl-2-butenyl)phenyl]-7,8-dihydro-5-hydroxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
  • 7-[2,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-7,8-dihydro-5-hydroxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-ba(2)]dipyran-6-one
  • 7-[2,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl ]-7,8-dihydro-5-hydroxy-2,2-dimethyl-2h,6h-benzo[1,2-b:5,4-b']dipyran-6-one

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
422.48 g/molcalc.
Exact mass
422.1729 Dacalc.
LogP (octanol/water)
4.86calc.
Topological polar surface area
96.22 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1c2cc3c(cc2OCC1c1ccccc1)OCC=C3

O=C1c2cc3c(cc2OCC1c1ccccc1)OCC=C3

4 rings, 21 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Cajanone suppliers

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Cajanone price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Cajanone is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Cajanone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cajanone, based on the data on this page

What is Cajanone?

Cajanone is a member of isoflavanones.

What is the CAS number of Cajanone?

The CAS registry number of Cajanone is 63006-48-4.

What is the molecular formula and weight of Cajanone?

The molecular formula of Cajanone is C25H26O6 and its molar mass is 422.48 g/mol.

What is Cajanone used for?

Known uses and roles of Cajanone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Cajanone hazardous?

No GHS hazard classification for Cajanone is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Cajanone?

Cajanone is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cajanone?

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What is the price of Cajanone?

Suppliers quote Cajanone on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Cajanone

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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