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Screening compounds

Dinitrodenafil

Also known as 5-(2-ethoxy-3,5-dinitrophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one, 7H-Pyrazolo(4,3-d)pyrimidin-7-one, 5-(2-ethoxy-3,5-dinitrophenyl)-1,6-dihydro-1-methyl-3-propyl-, 5-(2-Ethoxy-3,5-dinitrophenyl)-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one,

CAS 1797103-21-9Formula C17H18N6O6Molar mass 402.37 g/mol
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Dinitrodenafil chemical structure, C17H18N6O6, CAS 1797103-21-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1797103-21-9
Formula
C17H18N6O6
Molar mass
402.37 g/mol
HS code
293359
Category
Screening compounds

What is Dinitrodenafil?

Plain description, key identifiers and synonyms

Dinitrodenafil is a chemical substance with the molecular formula C17H18N6O6 and a molar mass of 402.37 g/mol. Its CAS registry number is 1797103-21-9. The IUPAC name is 5-(2-ethoxy-3,5-dinitrophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-(2-ethoxy-3,5-dinitrophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CAS number
1797103-21-9
Molecular formula
C17H18N6O6
UNII
2403OSR3WF
InChIKey
DAJHVHLPYQMYIL-UHFFFAOYSA-N
InChI
InChI=1S/C17H18N6O6/c1-4-6-11-13-14(21(3)20-11)17(24)19-16(18-13)10-7-9(22(25)26)8-12(23(27)28)15(10)29-5-2/h7-8H,4-6H2,1-3H3,(H,18,19,24)
SMILES (canonical and isomeric)
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OCC)C

Synonyms

  • 5-(2-ethoxy-3,5-dinitrophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
  • 7H-Pyrazolo(4,3-d)pyrimidin-7-one, 5-(2-ethoxy-3,5-dinitrophenyl)-1,6-dihydro-1-methyl-3-propyl-
  • 5-(2-Ethoxy-3,5-dinitrophenyl)-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one,
  • Dinitrodenafil, 98%

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
402.37 g/molcalc.
Exact mass
402.1288 Dacalc.
LogP (octanol/water)
2.49calc.
Topological polar surface area
159.1 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
7calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.35calc.
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(-c2ccccc2)nc2cn[nH]c12

O=c1[nH]c(-c2ccccc2)nc2cn[nH]c12

3 rings, 16 atoms.

49 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.

Dinitrodenafil suppliers

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

Frequently asked questions

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

What is Dinitrodenafil?

Dinitrodenafil is a chemical substance with the molecular formula C17H18N6O6 and a molar mass of 402.37 g/mol. Its CAS registry number is 1797103-21-9. The IUPAC name is 5-(2-ethoxy-3,5-dinitrophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

What is the CAS number of Dinitrodenafil?

The CAS registry number of Dinitrodenafil is 1797103-21-9.

What is the molecular formula and weight of Dinitrodenafil?

The molecular formula of Dinitrodenafil is C17H18N6O6 and its molar mass is 402.37 g/mol.

What is Dinitrodenafil used for?

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

Is Dinitrodenafil hazardous?

No GHS hazard classification for Dinitrodenafil 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 Dinitrodenafil?

Dinitrodenafil 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 Dinitrodenafil?

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

What is the price of Dinitrodenafil?

Suppliers quote Dinitrodenafil 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 Dinitrodenafil

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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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