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Screening compounds

Isodiospyrin

Also known as Isoldiospyrin, 1',4-dihydroxy-2,3'-dimethyl-(1,2'-binaphthalene)-5,5',8,8'-tetrone, rac-Isodiospyrin

CAS 20175-84-2Formula C22H14O6Molar mass 374.35 g/mol
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Isodiospyrin chemical structure, C22H14O6, CAS 20175-84-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
20175-84-2
Formula
C22H14O6
Molar mass
374.35 g/mol
HS code
291469
Category
Screening compounds

What is Isodiospyrin?

Plain description, key identifiers and synonyms

Isodiospyrin is a member of biphenyls.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-hydroxy-6-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-7-methylnaphthalene-1,4-dione
CAS number
20175-84-2 CAS number cross-checkedOther or deprecated CAS: 89475-33-2
Molecular formula
C22H14O6
InChIKey
OEEOHKZVBKYMBA-UHFFFAOYSA-N
InChI
InChI=1S/C22H14O6/c1-9-7-11-12(23)3-4-13(24)19(11)22(28)18(9)17-10(2)8-16(27)20-14(25)5-6-15(26)21(17)20/h3-8,27-28H,1-2H3
SMILES (canonical and isomeric)
CC1=CC2=C(C(=O)C=CC2=O)C(=C1C3=C4C(=O)C=CC(=O)C4=C(C=C3C)O)O

Synonyms

  • Isoldiospyrin
  • 1',4-dihydroxy-2,3'-dimethyl-(1,2'-binaphthalene)-5,5',8,8'-tetrone
  • rac-Isodiospyrin
  • 5-hydroxy-6-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-7-methylnaphthalene-1,4-dione
  • [1,2'-Binaphthalene]-5,5',8,8'-tetrone, 1',4-dihydroxy-2,3'-dimethyl-, (-)-
  • (1,2'-Binaphthalene)-5,5',8,8'-tetrone, 1',4-dihydroxy-2,3'-dimethyl-, (-)-
  • [1,5',8,8'-tetrone, 1',4-dihydroxy-2,3'-dimethyl-, (-)-
  • 1',4-Dihydroxy-2,3'-dimethyl[1,2'-binaphthalene]-5,5',8,8'-tetrone
  • [1,2'-Binaphthalene]-5,5',8,8'-tetrone, 1',4-dihydroxy-2,3'-dimethyl-, (1R)-
  • 1',4-Dihydroxy-2,3'-dimethyl[1,2'-binaphthalene]-5,5',8,8'-tetrone, NSC 208731

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
374.35 g/molcalc.
Exact mass
374.079 Dacalc.
LogP (octanol/water)
3.25calc.
Topological polar surface area
108.7 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
28calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.09calc.
Formal charge
0calc.
Stereocentres
0calc.
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=C1C=CC(=O)c2cc(-c3cccc4c3C(=O)C=CC4=O)ccc21

O=C1C=CC(=O)c2cc(-c3cccc4c3C(=O)C=CC4=O)ccc21

4 rings, 24 atoms.

1 other chemical 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.

Isodiospyrin suppliers

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Isodiospyrin 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 Isodiospyrin is traded under.

HS 2914.69Indicative HS code

Quinones, other

World exports in 2024
$162M
−10.1% vs 2023, imports $157M
2019 to 2024
Top exporters
  1. China32.8%
  2. Netherlands29.3%
  3. Japan13.8%
Top importers
  1. United States23.0%
  2. India * partner reported16.1%
  3. Thailand7.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Isodiospyrin?

Isodiospyrin is a member of biphenyls.

What is the CAS number of Isodiospyrin?

The CAS registry number of Isodiospyrin is 20175-84-2. Other or deprecated CAS numbers: 89475-33-2.

What is the molecular formula and weight of Isodiospyrin?

The molecular formula of Isodiospyrin is C22H14O6 and its molar mass is 374.35 g/mol.

What is Isodiospyrin used for?

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

Is Isodiospyrin hazardous?

No GHS hazard classification for Isodiospyrin 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 Isodiospyrin?

Isodiospyrin is usually classified under HS code 291469 (Quinones, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isodiospyrin?

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

What is the price of Isodiospyrin?

Suppliers quote Isodiospyrin 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 Isodiospyrin

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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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