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Screening compounds

3Asd7PR32A

Also known as [9,9'-Bianthracene]-10,10'(9H,9'H)-dione, 4,4',5,5'-tetrahydroxy-2,2'-dimethoxy-7,7'-dimethyl-, (9R,9'R)-rel-, 4,4',5,5'-Tetrahydroxy-2,2'-dimethoxy-7,7'-dimethyl[9,9'-bianthracene]-10,10'(9H,9'H)-dione, rel-(9R,9'R)-, 4,4',5,5'-Tetrahydroxy-2,2'-dimethoxy-7,7'-dimethyl[9,9'-bianthracene]-10,10'(9H,9'H)-dione, trans-

CAS 1658479-86-7Formula C32H26O8Molar mass 538.55 g/mol
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3Asd7PR32A chemical structure, C32H26O8, CAS 1658479-86-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1658479-86-7
Formula
C32H26O8
Molar mass
538.55 g/mol
HS code
291450
Category
Screening compounds

What is 3Asd7PR32A?

Plain description, key identifiers and synonyms

3Asd7PR32A is a chemical substance with the molecular formula C32H26O8 and a molar mass of 538.55 g/mol. Its CAS registry number is 1658479-86-7. The IUPAC name is (10R)-10-[(9R)-4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(10R)-10-[(9R)-4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one
CAS number
1658479-86-7
Molecular formula
C32H26O8
UNII
3ASD7PR32A
InChIKey
CZJNLQOXUCEPOH-CLJLJLNGSA-N
InChI
InChI=1S/C32H26O8/c1-13-5-17-25(19-9-15(39-3)11-23(35)29(19)31(37)27(17)21(33)7-13)26-18-6-14(2)8-22(34)28(18)32(38)30-20(26)10-16(40-4)12-24(30)36/h5-12,25-26,33-36H,1-4H3/t25-,26-/m1/s1
Canonical SMILES
COc1cc(O)c2c(c1)C(C1c3cc(C)cc(O)c3C(=O)c3c(O)cc(OC)cc31)c1cc(C)cc(O)c1C2=O
Isomeric SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@@H]4C5=C(C(=CC(=C5)C)O)C(=O)C6=C4C=C(C=C6O)OC)C=C(C=C3O)OC

Synonyms

  • [9,9'-Bianthracene]-10,10'(9H,9'H)-dione, 4,4',5,5'-tetrahydroxy-2,2'-dimethoxy-7,7'-dimethyl-, (9R,9'R)-rel-
  • 4,4',5,5'-Tetrahydroxy-2,2'-dimethoxy-7,7'-dimethyl[9,9'-bianthracene]-10,10'(9H,9'H)-dione, rel-(9R,9'R)-
  • 4,4',5,5'-Tetrahydroxy-2,2'-dimethoxy-7,7'-dimethyl[9,9'-bianthracene]-10,10'(9H,9'H)-dione, trans-
  • rel-(9R,9'R)-4,4',5,5'-Tetrahydroxy-2,2'-dimethoxy-7,7'-dimethyl[9,9'-bianthracene]-10,10'(9H,9'H)-dione
  • trans-4,4',5,5'-Tetrahydroxy-2,2'-dimethoxy-7,7'-dimethyl[9,9'-bianthracene]-10,10'(9H,9'H)-dione

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
538.55 g/molcalc.
Exact mass
538.1628 Dacalc.
LogP (octanol/water)
5.2calc.
Topological polar surface area
133.5 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
3calc.
Heavy atoms
40calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.19calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Fails (2 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=C1c2ccccc2C(C2c3ccccc3C(=O)c3ccccc32)c2ccccc21

O=C1c2ccccc2C(C2c3ccccc3C(=O)c3ccccc32)c2ccccc21

6 rings, 30 atoms, the Dianthrone ring system.

28 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.

3Asd7PR32A suppliers

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3Asd7PR32A price

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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 3Asd7PR32A is traded under.

HS 2914.50Indicative HS code

Ketone-phenols and ketones with other oxygen function

World exports in 2024
$438M
+10.9% vs 2023, imports $420M
2019 to 2024
Top exporters
  1. China50.5%
  2. India * partner reported11.6%
  3. United States11.3%
Top importers
  1. United States20.8%
  2. Germany10.0%
  3. Netherlands8.6%

* Partner reported figures, a lower bound.

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

The HS code shown for 3Asd7PR32A is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3Asd7PR32A, based on the data on this page

What is 3Asd7PR32A?

3Asd7PR32A is a chemical substance with the molecular formula C32H26O8 and a molar mass of 538.55 g/mol. Its CAS registry number is 1658479-86-7. The IUPAC name is (10R)-10-[(9R)-4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one.

What is the CAS number of 3Asd7PR32A?

The CAS registry number of 3Asd7PR32A is 1658479-86-7.

What is the molecular formula and weight of 3Asd7PR32A?

The molecular formula of 3Asd7PR32A is C32H26O8 and its molar mass is 538.55 g/mol.

What is 3Asd7PR32A used for?

Known uses and roles of 3Asd7PR32A include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3Asd7PR32A hazardous?

No GHS hazard classification for 3Asd7PR32A 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 3Asd7PR32A?

3Asd7PR32A is usually classified under HS code 291450 (Ketone-phenols and ketones with other oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3Asd7PR32A?

Post a free request on CompoundList and suppliers of 3Asd7PR32A will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 3Asd7PR32A?

Suppliers quote 3Asd7PR32A 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

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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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