Cas no 349553-91-9 (1-Bromotridecane-d27)
1-Bromotridecane-d27 Chemical and Physical Properties
Names and Identifiers
-
- Tridecane-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-d27,13-bromo- (9CI)
- 1-BROMOTRIDECANE-D27
- D98143
- 349553-91-9
- CS-0568530
- HY-W110702S
- 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptacosadeuteriotridecane
- 1-Bromotridecane-d27
-
- Inchi： 1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2
- InChI Key： BFDNZQUBFCYTIC-RZVOLPTOSA-N
- SMILES： BrC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 289.299
- Monoisotopic Mass: 289.299
- Isotope Atom Count: 27
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 14
- Rotatable Bond Count: 11
- Complexity: 91.2
- 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: 7.6
- Topological Polar Surface Area: 0A^2
1-Bromotridecane-d27 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B688366-2.5mg |
1-Bromotridecane-d27 |
349553-91-9 | 2.5mg |
$ 64.00 | 2023-09-08 | ||
| TRC | B688366-5mg |
1-Bromotridecane-d27 |
349553-91-9 | 5mg |
$ 81.00 | 2023-09-08 | ||
| TRC | B688366-25mg |
1-Bromotridecane-d27 |
349553-91-9 | 25mg |
$ 167.00 | 2023-04-18 | ||
| A2B Chem LLC | AF66798-100mg |
1-BROMOTRIDECANE-D27 |
349553-91-9 | 100mg |
$445.00 | 2024-04-20 | ||
| A2B Chem LLC | AF66798-250mg |
1-BROMOTRIDECANE-D27 |
349553-91-9 | 250mg |
$721.00 | 2024-04-20 | ||
| 1PlusChem | 1P00C5YM-250mg |
1-BROMOTRIDECANE-D27 |
349553-91-9 | 250mg |
$721.00 | 2025-02-25 | ||
| 1PlusChem | 1P00C5YM-100mg |
1-Bromotridecane-d27 |
349553-91-9 | 100mg |
$459.00 | 2025-03-12 |
1-Bromotridecane-d27 Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
Additional information on 1-Bromotridecane-d27
Comprehensive Guide to 1-Bromotridecane-d27 (CAS No. 349553-91-9): Properties, Applications, and Industry Insights
1-Bromotridecane-d27 (CAS No. 349553-91-9) is a deuterated organic compound widely utilized in advanced research fields such as NMR spectroscopy, isotope labeling, and pharmaceutical development. This deuterium-enriched variant of 1-bromotridecane offers unique advantages in tracing molecular interactions and studying kinetic isotope effects, making it indispensable in modern scientific investigations. Below, we delve into its properties, applications, and relevance to current industry trends.
The molecular structure of 1-Bromotridecane-d27 features 27 deuterium atoms replacing hydrogen, significantly enhancing its utility in deuterium labeling experiments. Researchers leverage this property to gain insights into reaction mechanisms, metabolic pathways, and material stability. Its CAS No. 349553-91-9 ensures precise identification in chemical databases, aligning with the growing demand for high-purity reagents in academia and industry.
In the context of sustainable chemistry, 1-Bromotridecane-d27 is gaining attention for its role in green synthesis and catalysis research. As industries prioritize eco-friendly processes, deuterated compounds like this enable precise monitoring of chemical reactions with minimal environmental impact. This aligns with global trends such as the EU Green Deal and corporate sustainability goals.
Another critical application lies in drug discovery. Pharmaceutical companies employ 1-Bromotridecane-d27 to study drug metabolism and improve bioavailability. Its deuterium content can alter pharmacokinetics, a principle exploited in the development of deuterated drugs (e.g., Deutetrabenazine). This positions the compound as a key player in the personalized medicine revolution.
From a technical standpoint, 1-Bromotridecane-d27 exhibits high chemical stability and compatibility with organic solvents, making it suitable for multistep synthesis. Its spectral properties (e.g., absence of proton signals in NMR) simplify data interpretation—a frequent pain point in analytical chemistry. Laboratories increasingly seek such compounds to streamline workflows amid rising demand for high-throughput screening.
Emerging technologies like AI-driven molecular design further amplify the relevance of CAS No. 349553-91-9. Machine learning models trained on deuterated compounds accelerate the discovery of novel materials, linking this compound to cutting-edge computational chemistry applications. This synergy between wet-lab and in-silico research is reshaping R&D pipelines across sectors.
Quality control remains paramount when working with 1-Bromotridecane-d27. Reputable suppliers provide certificates of analysis (CoA) detailing isotopic purity (>98% D), a critical parameter for reproducible results. Researchers frequently search for "deuterated compound suppliers" or "isotopically labeled standards"—keywords reflecting market needs for reliable sourcing.
Looking ahead, the demand for 1-Bromotridecane-d27 is projected to grow alongside advancements in structural biology and proteomics. Its role in elucidating protein-ligand interactions via NMR crystallography exemplifies its cross-disciplinary value. For laboratories navigating the complexities of molecular dynamics simulations, this compound offers empirical validation opportunities.
In summary, 1-Bromotridecane-d27 (CAS No. 349553-91-9) bridges fundamental research and industrial innovation. Whether optimizing catalytic systems or designing next-gen therapeutics, its deuterium-enriched structure provides a strategic tool for scientists tackling today’s most pressing chemical challenges.
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