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Screening compounds

Coumberone

Also known as 6-benzoyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one, 8-Benzoyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one

CAS 878019-47-7Formula C22H19NO3Molar mass 345.40 g/mol
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Coumberone chemical structure, C22H19NO3, CAS 878019-47-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
878019-47-7
Formula
C22H19NO3
Molar mass
345.40 g/mol
HS code
293499
Category
Screening compounds

What is Coumberone?

Plain description, key identifiers and synonyms

Coumberone is a chemical substance with the molecular formula C22H19NO3 and a molar mass of 345.40 g/mol. Its CAS registry number is 878019-47-7. The IUPAC name is 6-benzoyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-benzoyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
CAS number
878019-47-7
Molecular formula
C22H19NO3
InChIKey
DGJJSADMDWUKOJ-UHFFFAOYSA-N
InChI
InChI=1S/C22H19NO3/c24-19-13-17(21(25)14-6-2-1-3-7-14)18-12-15-8-4-10-23-11-5-9-16(20(15)23)22(18)26-19/h1-3,6-7,12-13H,4-5,8-11H2
SMILES (canonical and isomeric)
C1CC2=CC3=C(C4=C2N(C1)CCC4)OC(=O)C=C3C(=O)C5=CC=CC=C5

Synonyms

  • 6-benzoyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
  • 8-Benzoyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-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
345.40 g/molcalc.
Exact mass
345.1365 Dacalc.
LogP (octanol/water)
3.72calc.
Topological polar surface area
50.52 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
26calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.27calc.
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=C(c1ccccc1)c1cc(=O)oc2c3c4c(cc12)CCCN4CCC3

O=C(c1ccccc1)c1cc(=O)oc2c3c4c(cc12)CCCN4CCC3

5 rings, 26 atoms. This chemical is the scaffold itself.

No other chemical in our database has 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.

Coumberone suppliers

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Coumberone 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 Coumberone is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Coumberone?

Coumberone is a chemical substance with the molecular formula C22H19NO3 and a molar mass of 345.40 g/mol. Its CAS registry number is 878019-47-7. The IUPAC name is 6-benzoyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one.

What is the CAS number of Coumberone?

The CAS registry number of Coumberone is 878019-47-7.

What is the molecular formula and weight of Coumberone?

The molecular formula of Coumberone is C22H19NO3 and its molar mass is 345.40 g/mol.

What is Coumberone used for?

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

Is Coumberone hazardous?

No GHS hazard classification for Coumberone 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 Coumberone?

Coumberone is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Coumberone?

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What is the price of Coumberone?

Suppliers quote Coumberone 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 Coumberone

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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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