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Screening compounds

Rolofylline

Also known as 1,3-Dnax, KW 3902, 8-(3-Noradamantyl)-1,3-dipropylxanthine

CAS 136199-02-5Formula C20H28N4O2Molar mass 356.47 g/molEC 663-792-2
GHS signal word: Danger. Pictograms: Serious health hazard 1 supplier listed
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Rolofylline chemical structure, C20H28N4O2, CAS 136199-02-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
136199-02-5
Formula
C20H28N4O2
Molar mass
356.47 g/mol
EC number
663-792-2
HS code
293359
Category
Screening compounds

What is Rolofylline?

Plain description, key identifiers and synonyms

Rolofylline is a chemical substance with the molecular formula C20H28N4O2 and a molar mass of 356.47 g/mol. Its CAS registry number is 136199-02-5. The IUPAC name is 1,3-dipropyl-8-[(1R,5S)-3-tricyclo[3.3.1.03,7]nonanyl]-7H-purine-2,6-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,3-dipropyl-8-[(1R,5S)-3-tricyclo[3.3.1.03,7]nonanyl]-7H-purine-2,6-dione
CAS number
136199-02-5
EC number
663-792-2
Molecular formula
C20H28N4O2
UNII
7805S5HIHX
InChIKey
PJBFVWGQFLYWCB-QUYAXPHCSA-N
InChI
InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)/t12-,13+,14?,20?
Canonical SMILES
CCCn1c(=O)c2[nH]c(C34CC5CC(CC3C5)C4)nc2n(CCC)c1=O
Isomeric SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34C[C@@H]5C[C@H](C3)CC4C5

Synonyms

  • 1,3-Dnax
  • KW 3902
  • 8-(3-Noradamantyl)-1,3-dipropylxanthine
  • 8-(Noradamantan-3-yl)-1,3-dipropylxanthine
  • Rolofyllina
  • 1,3-Dipropyl-8-(tricyclo(3.3.1.0(sup 3,7))non-3-yl)-3,7-dihydro-1H-purine-2,6-dione
  • 3,7-Dihydro-1,3-dipropyl-8-(3-tricyclo(3.3.1.0(sup 3,7))nonyl)-1H-purine-2,6-dione
  • rolofyllinum
  • 1,3-Dipropyl-8-(3-noradamantyl)xanthine
  • 1,3-dipropyl-8-((1R,5S)-tricyclo(3.3.1.0^(3,7))nonan-3-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • 1,3-dipropyl-8-[(1R,5S)-3-tricyclo[3.3.1.03,7]nonanyl]-7H-purine-2,6-dione
  • 1H-Purine-2,6-dione, 8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl-
  • 8-(Hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione
  • KW-3902, >=98% (HPLC)
  • 1,3-Dipropyl-8-(tricyclo(3.3.1.0(3,7))non-3-yl)-3,7-dihydro-1H-purine-2,6-dione
  • 3,7-Dihydro-1,3-dipropyl-8-(3-tricyclo(3.3.1.0(3,7))nonyl)-1H-purine-2,6-dione

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
356.47 g/molcalc.
Exact mass
356.2212 Dacalc.
LogP (octanol/water)
2.78calc.
Topological polar surface area
72.68 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
26calc.
Rings
6calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.75calc.
Formal charge
0calc.
Stereocentres
4calc.
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]c(C34CC5CC(CC3C5)C4)nc2[nH]1

O=c1[nH]c(=O)c2[nH]c(C34CC5CC(CC3C5)C4)nc2[nH]1

6 rings, 20 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H370Causes damage to organs.
  • H373May cause damage to organs through prolonged or repeated exposure.
  • H413May cause long lasting harmful effects to aquatic life.
Precautionary statements (9)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P308 + P316If exposed or concerned: Get emergency medical help immediately.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P405Store locked up.
  • 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

Rolofylline suppliers

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Where suppliers are based

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Rolofylline 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

  • Diuretics

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

Frequently asked questions

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

What is Rolofylline?

Rolofylline is a chemical substance with the molecular formula C20H28N4O2 and a molar mass of 356.47 g/mol. Its CAS registry number is 136199-02-5. The IUPAC name is 1,3-dipropyl-8-[(1R,5S)-3-tricyclo[3.3.1.03,7]nonanyl]-7H-purine-2,6-dione.

What is the CAS number of Rolofylline?

The CAS registry number of Rolofylline is 136199-02-5.

What is the molecular formula and weight of Rolofylline?

The molecular formula of Rolofylline is C20H28N4O2 and its molar mass is 356.47 g/mol.

What is Rolofylline used for?

Known uses and roles of Rolofylline include building blocks in research and laboratory, screening compounds in research and laboratory and diuretics.

Is Rolofylline hazardous?

Rolofylline carries the GHS signal word "Danger". Main hazards: causes damage to organs, may cause damage to organs through prolonged or repeated exposure, may cause long lasting harmful effects to aquatic life. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Rolofylline?

Rolofylline 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 Rolofylline?

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

What is the price of Rolofylline?

Suppliers quote Rolofylline 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 Rolofylline

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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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