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Screening compounds

Torbafylline

Also known as Torbafilina, Torbafyllinum, 7-(ethoxymethyl)-3,7-dihydro-1-(5-hydroxy-5-methylhexyl)-3-methyl-1-H-purine-2,6-dione

CAS 105102-21-4Formula C16H26N4O4Molar mass 338.41 g/mol
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Torbafylline chemical structure, C16H26N4O4, CAS 105102-21-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
105102-21-4
Formula
C16H26N4O4
Molar mass
338.41 g/mol
HS code
293359
Category
Screening compounds

What is Torbafylline?

Plain description, key identifiers and synonyms

Torbafylline is a chemical substance with the molecular formula C16H26N4O4 and a molar mass of 338.41 g/mol. Its CAS registry number is 105102-21-4. The IUPAC name is 7-(ethoxymethyl)-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7-(ethoxymethyl)-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione
CAS number
105102-21-4 CAS number cross-checked
Molecular formula
C16H26N4O4
UNII
65O78F9T1W
InChIKey
QSXXLDDWVCEBFP-UHFFFAOYSA-N
InChI
InChI=1S/C16H26N4O4/c1-5-24-11-19-10-17-13-12(19)14(21)20(15(22)18(13)4)9-7-6-8-16(2,3)23/h10,23H,5-9,11H2,1-4H3
SMILES (canonical and isomeric)
CCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O

Synonyms

  • Torbafilina
  • Torbafyllinum
  • 7-(ethoxymethyl)-3,7-dihydro-1-(5-hydroxy-5-methylhexyl)-3-methyl-1-H-purine-2,6-dione
  • 7-(ethoxymethyl)-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione
  • 7-(Ethoxymethyl)-1-(5-hydroxy-5-methylhexyl)-3-methylxanthine
  • 7-(ethoxymethyl)-1-(5-hydroxy-5-methylhexyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
  • 7-Ethoxymethyl-1-(5-hydroxy-5-methylhexyl)-3-methylxanthine

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
338.41 g/molcalc.
Exact mass
338.1954 Dacalc.
LogP (octanol/water)
0.83calc.
Topological polar surface area
91.28 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
8calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.69calc.
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=c1[nH]c(=O)c2[nH]cnc2[nH]1

O=c1[nH]c(=O)c2[nH]cnc2[nH]1

2 rings, 11 atoms, the Xanthine ring system.

1,880 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.

Torbafylline suppliers

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

Frequently asked questions

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

What is Torbafylline?

Torbafylline is a chemical substance with the molecular formula C16H26N4O4 and a molar mass of 338.41 g/mol. Its CAS registry number is 105102-21-4. The IUPAC name is 7-(ethoxymethyl)-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione.

What is the CAS number of Torbafylline?

The CAS registry number of Torbafylline is 105102-21-4.

What is the molecular formula and weight of Torbafylline?

The molecular formula of Torbafylline is C16H26N4O4 and its molar mass is 338.41 g/mol.

What is Torbafylline used for?

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

Is Torbafylline hazardous?

No GHS hazard classification for Torbafylline 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 Torbafylline?

Torbafylline 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 Torbafylline?

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

What is the price of Torbafylline?

Suppliers quote Torbafylline 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 Torbafylline

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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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