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Screening compounds

Angoletin

Also known as 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one, 2',4'-Dihydroxy-6'-methoxy-3',5'-dimethyldihydrochalcone, ON-III compound

CAS 76444-55-8Formula C18H20O4Molar mass 300.35 g/molEC 804-724-5
GHS signal word: Warning. Pictograms: Hazardous to the environment
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Angoletin chemical structure, C18H20O4, CAS 76444-55-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
76444-55-8
Formula
C18H20O4
Molar mass
300.35 g/mol
EC number
804-724-5
HS code
291450
Category
Screening compounds

What is Angoletin?

Plain description, key identifiers and synonyms

1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-1-propanone is a member of chalcones.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one
CAS number
76444-55-8 CAS number cross-checked
EC number
804-724-5
Molecular formula
C18H20O4
InChIKey
HBRYKWADRULLHU-UHFFFAOYSA-N
InChI
InChI=1S/C18H20O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-8,20-21H,9-10H2,1-3H3
SMILES (canonical and isomeric)
CC1=C(C(=C(C(=C1O)C(=O)CCC2=CC=CC=C2)OC)C)O

Synonyms

  • 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one
  • 2',4'-Dihydroxy-6'-methoxy-3',5'-dimethyldihydrochalcone
  • ON-III compound
  • ACon1_001290
  • 1-Propanone, 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-

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
300.35 g/molcalc.
Exact mass
300.1362 Dacalc.
LogP (octanol/water)
3.54calc.
Topological polar surface area
66.76 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
22calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.28calc.
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(CCc1ccccc1)c1ccccc1

O=C(CCc1ccccc1)c1ccccc1

2 rings, 16 atoms, the Dihydrochalcone ring system.

1,867 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (3)
  • P273Avoid release to the environment.
  • P391Collect spillage.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Angoletin suppliers

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

Frequently asked questions

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

What is Angoletin?

1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-1-propanone is a member of chalcones.

What is the CAS number of Angoletin?

The CAS registry number of Angoletin is 76444-55-8.

What is the molecular formula and weight of Angoletin?

The molecular formula of Angoletin is C18H20O4 and its molar mass is 300.35 g/mol.

What is Angoletin used for?

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

Is Angoletin hazardous?

Angoletin carries the GHS signal word "Warning". Main hazards: very toxic to aquatic life, very toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Angoletin?

Angoletin 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 Angoletin?

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

What is the price of Angoletin?

Suppliers quote Angoletin 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 Angoletin

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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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