Cas no 1184998-71-7 (1,3-Cyclohexanedione-1,2,3-13C3)

1,3-Cyclohexanedione-1,2,3-13C3 structure
1184998-71-7 structure
Product Name:1,3-Cyclohexanedione-1,2,3-13C3
CAS No:1184998-71-7
MF:C6H8O2
MW:115.104486465454
CID:1064156
PubChem ID:45038748
Update Time:2025-10-29

1,3-Cyclohexanedione-1,2,3-13C3 Chemical and Physical Properties

Names and Identifiers

    • 1,3-Cyclohexanedione-1,2,3-13C3
    • Dihydro-1,3-benzenediol-13C3; 1,3-Dioxocyclohexane-13C3; Dihydroresorcinol-13C3; Hydroresorcinol-13C3; NSC 57477-13C3;
    • (1,2,3-13C3)cyclohexane-1,3-dione
    • DB-278920
    • 1,3-Dioxocyclohexane-13C3
    • 1184998-71-7
    • Dihydro-1,3-benzenediol-13C3
    • J-003775
    • Inchi: 1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2/i4+1,5+1,6+1
    • InChI Key: HJSLFCCWAKVHIW-VMGGCIAMSA-N
    • SMILES: O=[13C]1[13CH2][13C](CCC1)=O

Computed Properties

  • Exact Mass: 115.062494000g/mol
  • Monoisotopic Mass: 115.062494000g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 113
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0
  • Topological Polar Surface Area: 34.1?2

1,3-Cyclohexanedione-1,2,3-13C3 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
C987892-1mg
1,3-Cyclohexanedione-1,2,3-13C3
1184998-71-7
1mg
$ 161.00 2023-09-08
TRC
C987892-10mg
1,3-Cyclohexanedione-1,2,3-13C3
1184998-71-7
10mg
$ 1206.00 2023-09-08

Additional information on 1,3-Cyclohexanedione-1,2,3-13C3

Comprehensive Guide to 1,3-Cyclohexanedione-1,2,3-13C3 (CAS No. 1184998-71-7): Properties, Applications, and Market Insights

1,3-Cyclohexanedione-1,2,3-13C3 (CAS No. 1184998-71-7) is a stable isotope-labeled derivative of 1,3-cyclohexanedione, widely used in metabolic research, pharmaceutical development, and analytical chemistry. This compound features carbon-13 (13C) labeling at positions 1, 2, and 3, making it invaluable for tracer studies and NMR spectroscopy. Researchers favor it for its ability to provide precise data in isotope dilution mass spectrometry (IDMS) and kinetic studies.

The growing demand for isotope-labeled compounds like 1,3-Cyclohexanedione-1,2,3-13C3 is driven by advancements in drug discovery and precision medicine. With the rise of AI-driven drug design and personalized therapeutics, this compound plays a critical role in understanding metabolic pathways and enzyme mechanisms. Its applications extend to environmental science, where it aids in tracking organic pollutant degradation.

From a chemical perspective, 1,3-Cyclohexanedione-1,2,3-13C3 exhibits unique spectroscopic properties due to its 13C-enriched structure. It is often synthesized via isotope exchange reactions or custom organic synthesis, ensuring high isotopic purity (>99%). The compound’s stability under standard laboratory conditions makes it suitable for long-term biochemical assays and labeling experiments.

In the pharmaceutical industry, 1,3-Cyclohexanedione-1,2,3-13C3 is utilized in drug metabolism studies to identify metabolite structures and quantify bioavailability. Its compatibility with LC-MS and GC-MS techniques enhances its utility in high-throughput screening. Recent trends show increased interest in its role in cancer research, particularly in studying tumor glycolysis and mitochondrial dysfunction.

The market for 13C-labeled compounds is expanding, with 1,3-Cyclohexanedione-1,2,3-13C3 being a sought-after reagent. Suppliers emphasize GMP compliance and batch-to-batch consistency to meet regulatory standards. Researchers frequently search for "buy 1,3-Cyclohexanedione-13C3" or "isotope-labeled cyclohexanedione suppliers," reflecting its commercial relevance. Sustainable synthesis methods and green chemistry approaches are also gaining traction in production.

For laboratories handling 1,3-Cyclohexanedione-1,2,3-13C3, proper storage (e.g., ?20°C under inert gas) is recommended to maintain stability. Safety data sheets (SDS) highlight its non-hazardous nature, aligning with laboratory safety protocols. Its low toxicity profile makes it preferable over radioactive tracers in in vivo studies.

Future applications of 1,3-Cyclohexanedione-1,2,3-13C3 may include neurodegenerative disease research and microbiome analysis, areas where stable isotope probing (SIP) is increasingly applied. As multi-omics integration becomes mainstream, demand for high-purity 13C-labeled standards like this compound will continue to rise.

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