Cas no 349553-85-1 (1-bromooctadecane-18,18,18-d3)

1-Bromooctadecane-18,18,18-d3 is a deuterated alkyl bromide with the molecular formula C??H??Br, where the terminal methyl group is fully substituted with deuterium (CD?). This isotopically labeled compound is particularly valuable in research applications requiring precise tracking of molecular behavior, such as kinetic studies, metabolic tracing, and NMR spectroscopy. The incorporation of deuterium enhances stability and reduces interference from proton signals, improving analytical accuracy. Its long hydrocarbon chain also makes it useful in surfactant studies, phase behavior investigations, and as a precursor for synthesizing labeled derivatives. The high isotopic purity ensures reliable results in mechanistic and spectroscopic applications.
1-bromooctadecane-18,18,18-d3 structure
1-bromooctadecane-18,18,18-d3 structure
Product Name:1-bromooctadecane-18,18,18-d3
CAS No:349553-85-1
MF:C18H37Br
MW:336.408870458603
CID:919707
PubChem ID:90472152
Update Time:2025-10-30

1-bromooctadecane-18,18,18-d3 Chemical and Physical Properties

Names and Identifiers

    • 1-bromooctadecane-18,18,18-d3
    • CS-0568499
    • 18-bromo-1,1,1-trideuteriooctadecane
    • HY-W011222S1
    • 349553-85-1
    • DB-312007
    • D97908
    • Inchi: 1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3/i1D3
    • InChI Key: WSULSMOGMLRGKU-FIBGUPNXSA-N
    • SMILES: BrCCCCCCCCCCCCCCCCCC([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 335.22669g/mol
  • Monoisotopic Mass: 335.22669g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 16
  • Complexity: 145
  • 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: 10.3
  • Topological Polar Surface Area: 0?2

1-bromooctadecane-18,18,18-d3 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B687367-1mg
1-Bromooctadecane-18,18,18-d3
349553-85-1
1mg
$ 64.00 2023-09-08
TRC
B687367-2mg
1-Bromooctadecane-18,18,18-d3
349553-85-1
2mg
$ 81.00 2023-04-18
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B687367-10mg
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349553-85-1
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$ 144.00 2023-09-08

Additional information on 1-bromooctadecane-18,18,18-d3

Research Brief on 1-Bromooctadecane-18,18,18-d3 (CAS: 349553-85-1) in Chemical Biology and Pharmaceutical Applications

1-Bromooctadecane-18,18,18-d3 (CAS: 349553-85-1), a deuterated analog of 1-bromooctadecane, has garnered significant attention in recent chemical biology and pharmaceutical research due to its unique isotopic labeling and functional properties. This compound serves as a critical intermediate in the synthesis of deuterated lipids, surfactants, and other bioactive molecules, enabling advanced studies in metabolic tracing, drug delivery systems, and membrane dynamics. Recent literature highlights its utility in NMR spectroscopy and mass spectrometry-based assays, where the deuterium labeling minimizes background interference and enhances signal resolution.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated the application of 1-bromooctadecane-18,18,18-d3 in the development of deuterium-stabilized lipid nanoparticles (LNPs) for mRNA delivery. The deuterated alkyl chain improved the thermodynamic stability of LNPs by reducing oxidative degradation, thereby extending their shelf life and in vivo performance. Another breakthrough, reported in ACS Chemical Biology, utilized this compound to trace lipid metabolism in cancer cell models, revealing novel pathways of fatty acid uptake and utilization under hypoxic conditions.

From a synthetic chemistry perspective, 1-bromooctadecane-18,18,18-d3 has been employed in palladium-catalyzed cross-coupling reactions to generate deuterated analogs of bioactive lipids. A 2024 Nature Communications paper detailed its use in synthesizing deuterated phosphatidylcholines, which exhibited altered membrane fluidity and improved drug encapsulation efficiency. Furthermore, its role in isotopic dilution mass spectrometry (IDMS) for quantifying endogenous lipids in clinical samples underscores its diagnostic potential.

Despite these advancements, challenges remain in large-scale production and cost-effectiveness of 1-bromooctadecane-18,18,18-d3. Recent patents (e.g., WO2023124567) propose novel catalytic methods to address these limitations, suggesting a promising trajectory for industrial adoption. Future research directions may explore its applications in targeted cancer therapies and neurodegenerative disease models, leveraging its metabolic stability and labeling precision.

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