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Aromatic building blocks

Trepibutone

Also known as Supacal, 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid, Trepibutonum

CAS 41826-92-0Formula C16H22O6Molar mass 310.35 g/mol
1 supplier listed
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Trepibutone chemical structure, C16H22O6, CAS 41826-92-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
41826-92-0
Formula
C16H22O6
Molar mass
310.35 g/mol
HS code
291899
Category
Aromatic building blocks

What is Trepibutone?

Plain description, key identifiers and synonyms

Trepibutone is an organic molecular entity.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid
CAS number
41826-92-0 CAS number cross-checked
Molecular formula
C16H22O6
UNII
H1187LU49Q
MDL number
MFCD00865221
InChIKey
YPTFHLJNWSJXKG-UHFFFAOYSA-N
InChI
InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)
SMILES (canonical and isomeric)
CCOC1=CC(=C(C=C1C(=O)CCC(=O)O)OCC)OCC

Synonyms

  • Supacal
  • 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid
  • Trepibutonum
  • Trepibutona
  • 2,3,4-Triethoxy-gamma-oxobenzenebutanoic acid
  • 3-(2',4',5'-triethoxybenzoyl)propionic acid
  • Colibil
  • AA 149, Supacal
  • Trepibuton
  • Triethoxybenzoylpropionate
  • 3-(2,4,5-Triethoxybenzoyl)propionic acid
  • 2,4,5-Triethoxy-gamma-oxobenzenebutanoic acid
  • Choliatron
  • 3-(2,4,5-Triethoxybenzoyl)propionicacid
  • Supacal (TN)
  • Trepibutone (Standard)
  • Propionic acid, 3-(2,4,5-triethoxybenzoyl)-
  • Trepibutone (JP17/INN)
  • 3-(2,4,5-triethoxybenzoyl)-propionicaci
  • 2,4,5-triethoxy-gamma-oxobenzenebutanoicacid
  • 4-oxo-4-(2,4,5-triethoxyphenyl)butanoicacid
  • 3-(2',4',5'-triethoxybenzoyl)-propionic acid

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
310.35 g/molcalc.
Exact mass
310.1416 Dacalc.
LogP (octanol/water)
2.93calc.
Topological polar surface area
82.06 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
10calc.
Heavy atoms
22calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

Trepibutone suppliers

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Where suppliers are based

1 supplier in 1 country

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Trepibutone price

Indicative price range per kg from live supplier offers

No published prices right now

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

Frequently asked questions

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

What is Trepibutone?

Trepibutone is an organic molecular entity.

What is the CAS number of Trepibutone?

The CAS registry number of Trepibutone is 41826-92-0.

What is the molecular formula and weight of Trepibutone?

The molecular formula of Trepibutone is C16H22O6 and its molar mass is 310.35 g/mol.

What is Trepibutone used for?

Known uses and roles of Trepibutone include building blocks in research and laboratory.

Is Trepibutone hazardous?

No GHS hazard classification for Trepibutone 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 Trepibutone?

Trepibutone 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 Trepibutone?

CompoundList lists 1 supplier of Trepibutone in France. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Trepibutone?

Suppliers quote Trepibutone 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 Trepibutone

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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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