Cas no 1261229-47-3 (1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol)

1-(6-Chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol is a heterocyclic compound featuring a pyrimidine core substituted with chloro and methylsulfanyl groups, further functionalized with a piperidin-3-ol moiety. This structure imparts versatility in synthetic applications, particularly in pharmaceutical and agrochemical research. The chloro and methylsulfanyl substituents enhance reactivity for nucleophilic substitution, enabling further derivatization. The piperidin-3-ol group introduces a chiral center, offering potential for stereoselective synthesis. Its balanced lipophilicity and polarity contribute to favorable solubility and bioavailability profiles, making it a valuable intermediate in drug discovery. The compound’s stability under standard conditions ensures reliable handling and storage. Its modular design supports diverse modifications, facilitating the development of targeted bioactive molecules.
1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol structure
1261229-47-3 structure
Product Name:1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol
CAS No:1261229-47-3
MF:C10H14ClN3OS
MW:259.755659580231
CID:2090862
PubChem ID:60137220
Update Time:2025-05-25

1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol Chemical and Physical Properties

Names and Identifiers

    • 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol
    • AKOS015939995
    • DB-237893
    • 1-(6-Chloro-2-(methylthio)pyrimidin-4-yl)piperidin-3-ol
    • 1261229-47-3
    • 1-(6-Chloro-2-methylsulfanyl-pyrimidin-4-yl)-piperidin-3-ol
    • SB43857
    • MDL: MFCD18380256
    • Inchi: 1S/C10H14ClN3OS/c1-16-10-12-8(11)5-9(13-10)14-4-2-3-7(15)6-14/h5,7,15H,2-4,6H2,1H3
    • InChI Key: YSTGRMBJGPZWNB-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=NC(=N1)SC)N1CCCC(C1)O

Computed Properties

  • Exact Mass: 259.0546109g/mol
  • Monoisotopic Mass: 259.0546109g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 234
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 74.6?2

1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol Pricemore >>

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1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol Related Literature

Additional information on 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol

Comprehensive Overview of 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol (CAS No. 1261229-47-3)

1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol (CAS No. 1261229-47-3) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its unique pyrimidine and piperidine structural motifs, is widely studied for its potential applications in drug discovery and development. Researchers are particularly interested in its molecular interactions and bioactivity, which make it a promising candidate for various therapeutic and industrial uses.

The chemical structure of 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol features a chloro-substituted pyrimidine ring linked to a hydroxylated piperidine moiety. This combination of functional groups contributes to its versatile reactivity and binding affinity, which are critical for its role in medicinal chemistry. Recent studies have explored its potential as a kinase inhibitor or enzyme modulator, aligning with the growing demand for targeted therapies in modern medicine.

In the context of sustainable chemistry, 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol has been investigated for its green synthesis pathways. With increasing emphasis on eco-friendly manufacturing, researchers are optimizing its production to minimize waste and energy consumption. This aligns with global trends in green chemistry and the push for sustainable pharmaceuticals, topics frequently searched by professionals in the field.

The compound’s physicochemical properties, such as solubility, stability, and partition coefficient, are also of great interest. These parameters are crucial for its formulation in drug delivery systems and agricultural formulations. For instance, its lipophilicity and hydrogen-bonding capacity influence its absorption and distribution in biological systems, making it a subject of ADME studies (Absorption, Distribution, Metabolism, and Excretion).

Another area of focus is the analytical characterization of CAS No. 1261229-47-3. Advanced techniques like HPLC, NMR spectroscopy, and mass spectrometry are employed to ensure its purity and identity. These methods are essential for quality control in pharmaceutical manufacturing, a topic highly relevant to industry professionals and regulatory bodies.

From a commercial perspective, 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol is available through specialized chemical suppliers and research catalogs. Its pricing and availability often depend on synthetic scalability and market demand, which are influenced by its emerging applications. Researchers frequently search for bulk synthesis options and custom synthesis services to meet their project needs.

In summary, 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol (CAS No. 1261229-47-3) represents a compound of significant scientific and industrial value. Its multifunctional structure, combined with its potential in drug development and sustainable chemistry, positions it as a key subject of ongoing research. As the scientific community continues to explore its capabilities, this compound is likely to play a pivotal role in advancing innovative therapeutics and green chemical processes.

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