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Screening compounds

Isosulochrin

Also known as methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxy-5-methoxybenzoate, Methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxy-5-methoxybe.., Benzoic acid, 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxy-5-methoxy-, methyl ester

CAS 77282-68-9Formula C17H16O7Molar mass 332.31 g/molEC 804-739-7
GHS signal word: Warning. Pictograms: Hazardous to the environment
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Isosulochrin chemical structure, C17H16O7, CAS 77282-68-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
77282-68-9
Formula
C17H16O7
Molar mass
332.31 g/mol
EC number
804-739-7
HS code
291899
Category
Screening compounds

What is Isosulochrin?

Plain description, key identifiers and synonyms

Methy 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxy-5-methoxybenzoate is a member of benzophenones.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxy-5-methoxybenzoate
CAS number
77282-68-9
EC number
804-739-7
Molecular formula
C17H16O7
UNII
O8CBB83PPJ
InChIKey
XKIBNYJGNBTYMP-UHFFFAOYSA-N
InChI
InChI=1S/C17H16O7/c1-8-4-11(18)15(12(19)5-8)16(21)14-10(17(22)24-3)6-9(23-2)7-13(14)20/h4-7,18-20H,1-3H3
SMILES (canonical and isomeric)
CC1=CC(=C(C(=C1)O)C(=O)C2=C(C=C(C=C2O)OC)C(=O)OC)O

Synonyms

  • methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxy-5-methoxybenzoate
  • Methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxy-5-methoxybe..
  • Benzoic acid, 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxy-5-methoxy-, methyl ester
  • Methy 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxy-5-methoxybenzoate
  • MEGxm0_000016
  • ACon0_000933
  • ACon1_000868

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
332.31 g/molcalc.
Exact mass
332.0896 Dacalc.
LogP (octanol/water)
2.14calc.
Topological polar surface area
113.3 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
4calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.18calc.
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)c1ccccc1

O=C(c1ccccc1)c1ccccc1

2 rings, 14 atoms, the Benzophenone ring system.

5,108 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

Isosulochrin suppliers

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Isosulochrin 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 Isosulochrin is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Isosulochrin?

Methy 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxy-5-methoxybenzoate is a member of benzophenones.

What is the CAS number of Isosulochrin?

The CAS registry number of Isosulochrin is 77282-68-9.

What is the molecular formula and weight of Isosulochrin?

The molecular formula of Isosulochrin is C17H16O7 and its molar mass is 332.31 g/mol.

What is Isosulochrin used for?

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

Is Isosulochrin hazardous?

Isosulochrin 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 Isosulochrin?

Isosulochrin is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isosulochrin?

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What is the price of Isosulochrin?

Suppliers quote Isosulochrin 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 Isosulochrin

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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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