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Heterocyclic building blocks

Ctk2A3507

Also known as 6-(Phenylethynyl)-1,3-dimethylpteridine-2,4(1H,3H)-dione, 1,3-Dimethyl-6-(phenylethynyl)pteridine-2,4(1H,3H)-dione

CAS 647826-46-8Formula C16H12N4O2Molar mass 292.30 g/mol
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Ctk2A3507 chemical structure, C16H12N4O2, CAS 647826-46-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
647826-46-8
Formula
C16H12N4O2
Molar mass
292.30 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is Ctk2A3507?

Plain description, key identifiers and synonyms

Ctk2A3507 is a chemical substance with the molecular formula C16H12N4O2 and a molar mass of 292.30 g/mol. Its CAS registry number is 647826-46-8. The IUPAC name is 1,3-dimethyl-6-(2-phenylethynyl)pteridine-2,4-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,3-dimethyl-6-(2-phenylethynyl)pteridine-2,4-dione
CAS number
647826-46-8 CAS number cross-checked
Molecular formula
C16H12N4O2
InChIKey
UTBXCOUQAWMYCV-UHFFFAOYSA-N
InChI
InChI=1S/C16H12N4O2/c1-19-14-13(15(21)20(2)16(19)22)18-12(10-17-14)9-8-11-6-4-3-5-7-11/h3-7,10H,1-2H3
SMILES (canonical and isomeric)
CN1C2=NC=C(N=C2C(=O)N(C1=O)C)C#CC3=CC=CC=C3

Synonyms

  • 6-(Phenylethynyl)-1,3-dimethylpteridine-2,4(1H,3H)-dione
  • 1,3-Dimethyl-6-(phenylethynyl)pteridine-2,4(1H,3H)-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
292.30 g/molcalc.
Exact mass
292.096 Dacalc.
LogP (octanol/water)
0.43calc.
Topological polar surface area
69.78 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.13calc.
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)c2nc(C#Cc3ccccc3)cnc2[nH]1

O=c1[nH]c(=O)c2nc(C#Cc3ccccc3)cnc2[nH]1

3 rings, 20 atoms.

No other chemical in our database has 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.

Ctk2A3507 suppliers

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Ctk2A3507 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 Ctk2A3507 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 Ctk2A3507 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ctk2A3507, based on the data on this page

What is Ctk2A3507?

Ctk2A3507 is a chemical substance with the molecular formula C16H12N4O2 and a molar mass of 292.30 g/mol. Its CAS registry number is 647826-46-8. The IUPAC name is 1,3-dimethyl-6-(2-phenylethynyl)pteridine-2,4-dione.

What is the CAS number of Ctk2A3507?

The CAS registry number of Ctk2A3507 is 647826-46-8.

What is the molecular formula and weight of Ctk2A3507?

The molecular formula of Ctk2A3507 is C16H12N4O2 and its molar mass is 292.30 g/mol.

What is Ctk2A3507 used for?

Known uses and roles of Ctk2A3507 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ctk2A3507 hazardous?

No GHS hazard classification for Ctk2A3507 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 Ctk2A3507?

Ctk2A3507 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 Ctk2A3507?

Post a free request on CompoundList and suppliers of Ctk2A3507 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Ctk2A3507?

Suppliers quote Ctk2A3507 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 Ctk2A3507

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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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