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Screening compounds

Theofibrate

Also known as Etofylline clofibrate, Duolip, Etofyllinclofibrate

CAS 54504-70-0Formula C19H21ClN4O5Molar mass 420.85 g/molEC 259-191-6
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Theofibrate chemical structure, C19H21ClN4O5, CAS 54504-70-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
54504-70-0
Formula
C19H21ClN4O5
Molar mass
420.85 g/mol
EC number
259-191-6
HS code
293359
Category
Screening compounds

What is Theofibrate?

Plain description, key identifiers and synonyms

Etofylline clofibrate is an oxopurine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
CAS number
54504-70-0 CAS number cross-checked
EC number
259-191-6
Molecular formula
C19H21ClN4O5
UNII
14UH1JQP6L
MDL number
MFCD00865733
InChIKey
KYAKGJDISSNVPZ-UHFFFAOYSA-N
InChI
InChI=1S/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)17(26)28-10-9-24-11-21-15-14(24)16(25)23(4)18(27)22(15)3/h5-8,11H,9-10H2,1-4H3
SMILES (canonical and isomeric)
CC(C)(C(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC3=CC=C(C=C3)Cl

Synonyms

  • Etofylline clofibrate
  • Duolip
  • Etofyllinclofibrate
  • Clofibrate d'etofylline
  • Clofibrato de etofilina
  • Etofyllini clofibras
  • Clofibrate etofylline
  • etophylline clofibrate
  • 4-chlorophenoxyisobutyrate theophylline-7-ethyl ester
  • 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
  • ML 1024
  • 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
  • 2-(p-Chlorophenoxy)-2-methylpropionic acid, ester with 7-(2-hydroxyethyl)theophylline
  • Theofibrate (USAN)
  • Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
  • Propionic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl) ethyl ester
  • Etofylline clofibrate (INN)
  • 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
  • Etofyllinclofibrat
  • C19H21ClN4O5
  • Ethyl Polyester
  • etofylline-clofibrate
  • Etofilline clofibrate
  • Duolip (TN)
  • 1-(7-Theophyllinyl)-2-ethyl (2-(p-chlorophenoxy)isobutyrate)
Show all 28 synonyms
  • 1-(Theophyllin-7-yl)-ethyl-2-(2-(p-chlorophenoxy)-2-methylpropionate)
  • 1-(Theophyllin-7-yl)-aethyl-2 2-(p-chlorphenoxy)-2-methylpropionat
  • Propionic acid, 2-(7-theophyllinyl)ethyl ester

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
420.85 g/molcalc.
Exact mass
420.12 Dacalc.
LogP (octanol/water)
1.49calc.
Topological polar surface area
97.35 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.37calc.
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(COc1ccccc1)OCCn1cnc2[nH]c(=O)[nH]c(=O)c21

O=C(COc1ccccc1)OCCn1cnc2[nH]c(=O)[nH]c(=O)c21

3 rings, 24 atoms.

4 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.

Theofibrate suppliers

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Where suppliers are based

1 supplier in 1 country

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Theofibrate 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

Pharmacological actions

  • Antioxidants
  • Hypolipidemic Agents
  • Radiation-Sensitizing Agents

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 Theofibrate is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Theofibrate?

Etofylline clofibrate is an oxopurine.

What is the CAS number of Theofibrate?

The CAS registry number of Theofibrate is 54504-70-0.

What is the molecular formula and weight of Theofibrate?

The molecular formula of Theofibrate is C19H21ClN4O5 and its molar mass is 420.85 g/mol.

What is Theofibrate used for?

Known uses and roles of Theofibrate include building blocks in research and laboratory, screening compounds in research and laboratory, antioxidants, hypolipidemic agents and radiation-sensitizing agents.

Is Theofibrate hazardous?

No GHS hazard classification for Theofibrate 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 Theofibrate?

Theofibrate is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Theofibrate?

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

Where can I buy Theofibrate in India?

1 supplier in India list Theofibrate on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Theofibrate?

Suppliers quote Theofibrate 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

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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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