Cas no 1035840-25-5 (6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole)

6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole is a heterocyclic compound featuring a benzoxazole core substituted with a chloro group at the 6-position and a 1,4-diazepane moiety at the 2-position. This structure imparts unique reactivity and potential utility in medicinal chemistry, particularly as a scaffold for designing biologically active molecules. The chloro group enhances electrophilic substitution potential, while the diazepane ring contributes to conformational flexibility, improving binding interactions with target proteins. Its well-defined synthetic pathway allows for high purity and scalability, making it a valuable intermediate for pharmaceutical research. The compound's stability under standard conditions further supports its use in diverse synthetic applications.
6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole structure
1035840-25-5 structure
Product Name:6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole
CAS No:1035840-25-5
MF:C12H14ClN3O
MW:251.712061405182
MDL:MFCD09701632
CID:1072278
PubChem ID:25219085
Update Time:2025-11-02

6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole Chemical and Physical Properties

Names and Identifiers

    • 6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole
    • 6-chloro-2-(1,4-diazaperhydroepinyl)benzoxazole
    • 6-chloro-2-[1,4]diazepan-1-yl-benzooxazole
    • ALBB-003836
    • CTK6H2168
    • SBB025078
    • ST092982
    • STK502731
    • SureCN3088134
    • AKOS000321659
    • DB-359361
    • 6-chloro-2-(1,4-diazepan-1-yl)benzo[d]oxazole
    • CS-0271946
    • EN300-231520
    • LS-01341
    • DTXSID00649190
    • 1035840-25-5
    • MFCD09701632
    • SCHEMBL3088134
    • MDL: MFCD09701632
    • Inchi: 1S/C12H14ClN3O/c13-9-2-3-10-11(8-9)17-12(15-10)16-6-1-4-14-5-7-16/h2-3,8,14H,1,4-7H2
    • InChI Key: UOYWZGNXQWELDK-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2=C(C=1)OC(=N2)N1CCNCCC1

Computed Properties

  • Exact Mass: 251.0825398g/mol
  • Monoisotopic Mass: 251.0825398g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 266
  • 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: 2.5
  • Topological Polar Surface Area: 41.3?2

6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole Pricemore >>

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6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole Related Literature

Additional information on 6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole

6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole (CAS No. 1035840-25-5): A Comprehensive Overview

6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole (CAS No. 1035840-25-5) is a heterocyclic compound that has garnered significant attention in the field of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique benzoxazole core fused with a 1,4-diazepane ring, exhibits a range of intriguing properties that make it a subject of ongoing scientific exploration. Its molecular structure, which combines a chloro-substituted benzoxazole moiety with a diazepane ring, offers a versatile scaffold for drug discovery and development.

The 6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole structure is particularly notable for its potential applications in targeting various biological pathways. Researchers have investigated its role as a modulator of specific receptors and enzymes, which could lead to the development of novel therapeutics for neurological and metabolic disorders. The compound's chloro substitution at the 6-position and the 1,4-diazepane ring at the 2-position contribute to its unique electronic and steric properties, influencing its binding affinity and selectivity.

In recent years, the demand for benzoxazole derivatives like 6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole has surged due to their potential in addressing unmet medical needs. The compound's ability to interact with key biological targets has made it a focal point in the search for new treatments for conditions such as anxiety, depression, and chronic pain. Its diazepane component, in particular, is known for its pharmacological relevance, often found in compounds with central nervous system activity.

The synthesis of 6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole typically involves multi-step organic reactions, including condensation and cyclization processes. Researchers have optimized these methods to improve yield and purity, ensuring the compound's suitability for further biological evaluation. The chloro-benzoxazole intermediate is often reacted with 1,4-diazepane under controlled conditions to achieve the desired product. Advances in synthetic chemistry have also enabled the exploration of structural analogs, broadening the scope of its potential applications.

One of the most compelling aspects of 6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole is its potential in drug discovery. The compound's benzoxazole-diazepane hybrid structure offers a balance of lipophilicity and polarity, which is crucial for achieving optimal pharmacokinetic properties. This balance enhances its ability to cross biological barriers, such as the blood-brain barrier, making it a promising candidate for central nervous system-targeted therapies. Recent studies have highlighted its interaction with GABA receptors, which are implicated in various neurological disorders.

The pharmaceutical industry has shown growing interest in 6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole due to its potential as a lead compound. Its heterocyclic framework is amenable to structural modifications, allowing for the development of derivatives with enhanced activity and reduced side effects. Researchers are also exploring its use in combination therapies, where it could synergize with other drugs to improve treatment outcomes. The compound's versatility underscores its value in modern drug design and development.

In addition to its therapeutic potential, 6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole has also been studied for its chemical properties. Its stability under various conditions and compatibility with common solvents make it a practical choice for laboratory and industrial applications. The compound's chloro-substituted benzoxazole moiety contributes to its robustness, while the diazepane ring adds flexibility to its chemical behavior. These attributes have facilitated its use in a wide range of experimental settings.

The future of 6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole research looks promising, with ongoing studies aimed at unlocking its full potential. As the scientific community continues to explore its mechanisms of action and therapeutic applications, this compound is likely to remain a key player in the development of next-generation pharmaceuticals. Its unique combination of structural features and biological activity positions it as a valuable tool for addressing some of the most challenging medical conditions.

For researchers and professionals seeking high-quality 6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole, it is essential to source the compound from reputable suppliers who adhere to strict quality standards. Proper handling and storage are also critical to maintaining its integrity and ensuring reliable results in experimental studies. As interest in this compound grows, advancements in its synthesis and application are expected to further solidify its role in scientific and medical research.

In summary, 6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole (CAS No. 1035840-25-5) represents a fascinating area of study in medicinal chemistry. Its benzoxazole and diazepane components confer unique properties that make it a promising candidate for drug development and other scientific applications. With continued research and innovation, this compound is poised to make significant contributions to the advancement of healthcare and pharmaceutical sciences.

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