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Screening compounds

Sarothralin

Also known as 4-[[3-benzoyl-2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one, 4-((3-benzoyl-2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl)methyl)-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one, onin c

CAS 96624-40-7Formula C31H34O8Molar mass 534.61 g/mol
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Sarothralin chemical structure, C31H34O8, CAS 96624-40-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
96624-40-7
Formula
C31H34O8
Molar mass
534.61 g/mol
HS code
291450
Category
Screening compounds

What is Sarothralin?

Plain description, key identifiers and synonyms

Sarothralin is a member of benzophenones.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[[3-benzoyl-2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
CAS number
96624-40-7 CAS number cross-checked
Molecular formula
C31H34O8
InChIKey
CTSAWQOSUXMFIZ-UHFFFAOYSA-N
InChI
InChI=1S/C31H34O8/c1-16(2)12-13-39-22-15-21(32)19(27(35)23(22)26(34)18-10-8-7-9-11-18)14-20-28(36)24(25(33)17(3)4)30(38)31(5,6)29(20)37/h7-12,15,17,32,35-37H,13-14H2,1-6H3
SMILES (canonical and isomeric)
CC(C)C(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(=C(C=C2O)OCC=C(C)C)C(=O)C3=CC=CC=C3)O)O

Synonyms

  • 4-[[3-benzoyl-2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
  • 4-((3-benzoyl-2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl)methyl)-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
  • onin c
  • 4-({3-Benzoyl-2,6-dihydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-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
534.61 g/molcalc.
Exact mass
534.2254 Dacalc.
LogP (octanol/water)
5.67calc.
Topological polar surface area
141.4 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
9calc.
Heavy atoms
39calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
0calc.
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=C1C=CC(Cc2cccc(C(=O)c3ccccc3)c2)=CC1

O=C1C=CC(Cc2cccc(C(=O)c3ccccc3)c2)=CC1

3 rings, 22 atoms.

1 other chemical 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.

Sarothralin suppliers

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

Frequently asked questions

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

What is Sarothralin?

Sarothralin is a member of benzophenones.

What is the CAS number of Sarothralin?

The CAS registry number of Sarothralin is 96624-40-7.

What is the molecular formula and weight of Sarothralin?

The molecular formula of Sarothralin is C31H34O8 and its molar mass is 534.61 g/mol.

What is Sarothralin used for?

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

Is Sarothralin hazardous?

No GHS hazard classification for Sarothralin 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 Sarothralin?

Sarothralin 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 Sarothralin?

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What is the price of Sarothralin?

Suppliers quote Sarothralin 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 Sarothralin

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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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