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Screening compounds

Dihydrocubebin

Also known as (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol, 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R*,R*)-(-)-, 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R-(R*,R*))-

CAS 24563-03-9Formula C20H22O6Molar mass 358.39 g/mol
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Dihydrocubebin chemical structure, C20H22O6, CAS 24563-03-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
24563-03-9
Formula
C20H22O6
Molar mass
358.39 g/mol
HS code
293299
Category
Screening compounds

What is Dihydrocubebin?

Plain description, key identifiers and synonyms

Dihydrocubebin is a glycol that is butane-1,4-diol substituted at the 2- and 3-positions by (1,3-benzodioxol-5-yl)methyl groups (the R,R-configuration). It is a glycol, a member of butanediols, a lignan and a member of benzodioxoles.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
CAS number
24563-03-9 CAS number cross-checked
Molecular formula
C20H22O6
InChIKey
JKCVMTYNARDGET-HOTGVXAUSA-N
InChI
InChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m0/s1
Canonical SMILES
OCC(Cc1ccc2c(c1)OCO2)C(CO)Cc1ccc2c(c1)OCO2
Isomeric SMILES
C1OC2=C(O1)C=C(C=C2)C[C@@H](CO)[C@@H](CC3=CC4=C(C=C3)OCO4)CO

Synonyms

  • (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
  • 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R*,R*)-(-)-
  • 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R-(R*,R*))-
  • 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, [R-(R*,R*)]-
  • 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (2R,3R)-
  • Cubebin, dihydro-
  • (2R,3R)-2,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]butane-1,4-diol
  • 1,4-Butanediol, 2,3-dipiperonyl-, (-)-
  • (2R,3R)-2,3-bis(Benzo[d][1,3]dioxol-5-ylmethyl)butane-1,4-diol

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
358.39 g/molcalc.
Exact mass
358.1416 Dacalc.
LogP (octanol/water)
2.15calc.
Topological polar surface area
77.38 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
26calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
2calc.
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, c1cc2c(cc1CCCCc1ccc3c(c1)OCO3)OCO2

c1cc2c(cc1CCCCc1ccc3c(c1)OCO3)OCO2

4 rings, 22 atoms.

8 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.

Dihydrocubebin suppliers

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Dihydrocubebin 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 Dihydrocubebin 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 Dihydrocubebin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Dihydrocubebin?

Dihydrocubebin is a glycol that is butane-1,4-diol substituted at the 2- and 3-positions by (1,3-benzodioxol-5-yl)methyl groups (the R,R-configuration). It is a glycol, a member of butanediols, a lignan and a member of benzodioxoles.

What is the CAS number of Dihydrocubebin?

The CAS registry number of Dihydrocubebin is 24563-03-9.

What is the molecular formula and weight of Dihydrocubebin?

The molecular formula of Dihydrocubebin is C20H22O6 and its molar mass is 358.39 g/mol.

What is Dihydrocubebin used for?

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

Is Dihydrocubebin hazardous?

No GHS hazard classification for Dihydrocubebin 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 Dihydrocubebin?

Dihydrocubebin 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 Dihydrocubebin?

Post a free request on CompoundList and suppliers of Dihydrocubebin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Dihydrocubebin?

Suppliers quote Dihydrocubebin 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 Dihydrocubebin

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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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