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Screening compounds

Echinone

Also known as [(1S)-1-(4-hydroxy-1-methoxy-5,8-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate, 1,4-Naphthalenedione, 6-((1S)-1-(acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-, (1S)-1-(4-hydroxy-1-methoxy-5,8-dioxo-5,8-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl acetate

CAS 80348-65-8Formula C19H20O6Molar mass 344.36 g/mol
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Echinone chemical structure, C19H20O6, CAS 80348-65-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
80348-65-8
Formula
C19H20O6
Molar mass
344.36 g/mol
HS code
291539
Category
Screening compounds

What is Echinone?

Plain description, key identifiers and synonyms

Echinone is a hydroxy-1,4-naphthoquinone and an acetate ester.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S)-1-(4-hydroxy-1-methoxy-5,8-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate
CAS number
80348-65-8 CAS number cross-checked
Molecular formula
C19H20O6
InChIKey
SCIUCADXFKAPEB-INIZCTEOSA-N
InChI
InChI=1S/C19H20O6/c1-10(2)5-8-16(25-11(3)20)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24-4/h5-7,9,16,23H,8H2,1-4H3/t16-/m0/s1
Canonical SMILES
COc1c(C(CC=C(C)C)OC(C)=O)cc(O)c2c1C(=O)C=CC2=O
Isomeric SMILES
CC(=CC[C@@H](C1=CC(=C2C(=O)C=CC(=O)C2=C1OC)O)OC(=O)C)C

Synonyms

  • [(1S)-1-(4-hydroxy-1-methoxy-5,8-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate
  • 1,4-Naphthalenedione, 6-((1S)-1-(acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-
  • (1S)-1-(4-hydroxy-1-methoxy-5,8-dioxo-5,8-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl acetate
  • 6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-1,4-naphthalenedione

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
344.36 g/molcalc.
Exact mass
344.126 Dacalc.
LogP (octanol/water)
3.3calc.
Topological polar surface area
89.9 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
25calc.
Rings
2calc.
Aromatic rings
1calc.
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=C1C=CC(=O)c2ccccc21

O=C1C=CC(=O)c2ccccc21

2 rings, 12 atoms, the 1,4-Naphthoquinone ring system.

875 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.

Echinone suppliers

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Echinone 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 Echinone is traded under.

HS 2915.39Indicative HS code

Esters of acetic acid, other

World exports in 2024
$2.03B
+7.9% vs 2023, imports $1.95B
2019 to 2024
Top exporters
  1. China58.0%
  2. United States7.3%
  3. Germany6.5%
Top importers
  1. Singapore15.6%
  2. South Korea7.2%
  3. Indonesia6.9%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Echinone?

Echinone is a hydroxy-1,4-naphthoquinone and an acetate ester.

What is the CAS number of Echinone?

The CAS registry number of Echinone is 80348-65-8.

What is the molecular formula and weight of Echinone?

The molecular formula of Echinone is C19H20O6 and its molar mass is 344.36 g/mol.

What is Echinone used for?

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

Is Echinone hazardous?

No GHS hazard classification for Echinone 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 Echinone?

Echinone is usually classified under HS code 291539 (Esters of acetic acid, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Echinone?

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

What is the price of Echinone?

Suppliers quote Echinone 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 Echinone

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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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