Cas no 287100-87-2 (Hexadecanoic-2-13C Acid)

Hexadecanoic-2-13C Acid structure
Hexadecanoic-2-13C Acid structure
Product Name:Hexadecanoic-2-13C Acid
CAS No:287100-87-2
MF:C16H32O2
MW:257.41674041748
CID:248683
PubChem ID:24872775
Update Time:2025-07-17

Hexadecanoic-2-13C Acid Chemical and Physical Properties

Names and Identifiers

    • Hexadecanoic-2-13C acid(9CI)
    • HY-N0830S9
    • (213C)hexadecanoic acid
    • Palmitic acid-13C
    • Palmitic Acid-13C (C2 labeled)
    • MS-23631
    • SCHEMBL1331402
    • Palmitic acid-2-13C, 99 atom % 13C
    • DTXSID90584046
    • CS-0372548
    • 287100-87-2
    • HEXADECANOICACID-2-13C
    • (2-~13~C)Hexadecanoic acid
    • Hexadecanoic acid-2-13C
    • D98230
    • starbld0016624
    • AKOS040754837
    • DA-76567
    • Hexadecanoic-2-13C Acid
    • MDL: MFCD00083983
    • Inchi: 1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i15+1
    • InChI Key: IPCSVZSSVZVIGE-XPOOIHDOSA-N
    • SMILES: OC([13CH2]CCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 257.243585095g/mol
  • Monoisotopic Mass: 257.243585095g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 14
  • Complexity: 178
  • 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: 6.4
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 0.855?g/mL?at 25?°C
  • Melting Point: 61-64?°C (lit.)
  • Boiling Point: 271.5?°C100?mm Hg(lit.)
  • Flash Point: Fahrenheit: 402.8 ° f < br / > Celsius: 206 ° C < br / >

Hexadecanoic-2-13C Acid Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H319
  • Warning Statement: P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi
  • Risk Phrases:36/37/38

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Hexadecanoic-2-13C Acid Suppliers

Amadis Chemical Company Limited
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(CAS:287100-87-2)Hexadecanoic-2-13C Acid
Order Number:A1243440
Stock Status:in Stock
Quantity:10mg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 19:51
Price ($):225
Suzhou Senfeida Chemical Co., Ltd
Gold Member
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(CAS:287100-87-2)HEXADECANOIC ACID-2-13C
Order Number:sfd10938
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:35
Price ($):discuss personally

Additional information on Hexadecanoic-2-13C Acid

Hexadecanoic-2-13C Acid (CAS No. 287100-87-2): A Comprehensive Overview

Hexadecanoic-2-13C Acid, chemically known by its CAS number 287100-87-2, is a specialized isotope-labeled compound that has garnered significant attention in the field of biochemical research and pharmaceutical development. This compound, a derivative of hexadecanoic acid (hexadecanoic acid), incorporates a carbon-13 isotope at the second carbon position, making it a valuable tool for metabolic studies and tracer experiments. The unique isotopic labeling allows researchers to track the metabolic pathways and interactions of this compound with high precision, providing insights that are not achievable with non-isotope-labeled analogs.

The structure of Hexadecanoic-2-13C Acid consists of a 16-carbon chain with a carbon-13 isotope at the second position. This configuration makes it particularly useful for NMR (Nuclear Magnetic Resonance) spectroscopy, which is a cornerstone technique in modern analytical chemistry and biochemistry. The presence of the carbon-13 isotope enhances the sensitivity and resolution of NMR spectra, enabling researchers to study complex molecular interactions and metabolic processes in greater detail. This capability has opened new avenues in drug discovery, particularly in understanding how new compounds are metabolized within biological systems.

In recent years, the application of labeled compounds like Hexadecanoic-2-13C Acid has expanded significantly, driven by advancements in mass spectrometry and metabolic flux analysis techniques. These tools have become indispensable in elucidating the mechanisms of drug metabolism and identifying key enzymes involved in various metabolic pathways. For instance, studies using Hexadecanoic-2-13C Acid have provided critical insights into the role of fatty acid metabolism in diseases such as diabetes and cardiovascular disorders. The ability to trace the path of this labeled compound through metabolic networks has allowed researchers to identify bottlenecks and potential therapeutic targets more effectively.

The pharmaceutical industry has also embraced the use of isotopically labeled compounds for drug development and validation purposes. Hexadecanoic-2-13C Acid, due to its stability and specificity, serves as an excellent internal standard in analytical methods. This ensures accurate quantification of hexadecanoic acid derivatives in biological samples, which is crucial for pharmacokinetic studies. Moreover, the compound's utility extends to the synthesis of labeled biomolecules, which are used in various diagnostic assays and imaging techniques. These applications underscore the versatility and importance of Hexadecanoic-2-13C Acid in modern chemical biology.

One of the most compelling aspects of working with Hexadecanoic-2-13C Acid is its role in advancing our understanding of lipid metabolism. Lipids are fundamental components of cell membranes and energy storage molecules, and their metabolism is tightly regulated by numerous enzymes and pathways. By incorporating carbon-13 into hexadecanoic acid, researchers can monitor lipid turnover with exceptional precision. This has led to groundbreaking discoveries regarding how dietary fats are processed by the body and how disruptions in lipid metabolism contribute to chronic diseases.

The integration of computational models with experimental data derived from Hexadecanoic-2-13C Acid has further enhanced our ability to predict metabolic outcomes. These models simulate complex biochemical reactions, allowing researchers to test hypotheses about metabolic pathways without conducting extensive wet-lab experiments. The accuracy provided by isotopically labeled compounds like this one ensures that computational predictions align closely with real-world biological processes, thereby accelerating the drug discovery pipeline.

In conclusion, Hexadecanoic-2-13C Acid (CAS No. 287100-87-2) represents a significant advancement in biochemical research and pharmaceutical development. Its unique isotopic labeling provides unparalleled insights into metabolic processes, making it an indispensable tool for researchers studying lipid metabolism, drug development, and disease mechanisms. As analytical techniques continue to evolve, the applications of this compound are expected to expand even further, driving innovation across multiple scientific disciplines.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:287100-87-2)Hexadecanoic-2-13C Acid
A1243440
Purity:99%
Quantity:10mg
Price ($):225
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:287100-87-2)HEXADECANOIC ACID-2-13C
sfd10938
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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