Cas no 383129-24-6 (2-(4-Bromophenyl)azepane)

2-(4-Bromophenyl)azepane is a brominated aromatic compound featuring an azepane ring, which serves as a versatile intermediate in organic synthesis and pharmaceutical research. The presence of the 4-bromophenyl moiety enhances its reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling the construction of complex molecular architectures. The azepane ring contributes to conformational flexibility, making it valuable in medicinal chemistry for modulating biological activity. This compound is particularly useful in the development of ligands, catalysts, and bioactive molecules. Its well-defined structure and synthetic utility make it a preferred choice for researchers seeking tailored modifications in drug discovery and material science applications.
2-(4-Bromophenyl)azepane structure
2-(4-Bromophenyl)azepane structure
Product Name:2-(4-Bromophenyl)azepane
CAS No:383129-24-6
MF:C12H16BrN
MW:254.166142463684
CID:3055875
PubChem ID:3475303
Update Time:2025-06-08

2-(4-Bromophenyl)azepane Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Bromophenyl)azepane
    • DB-163195
    • SCHEMBL17782275
    • AKOS001476006
    • BBL020554
    • STK893243
    • Oprea1_634937
    • 383129-24-6
    • Inchi: 1S/C12H16BrN/c13-11-7-5-10(6-8-11)12-4-2-1-3-9-14-12/h5-8,12,14H,1-4,9H2
    • InChI Key: KVYLZYCUTHZRNA-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)C1CCCCCN1

Computed Properties

  • Exact Mass: 253.04661Da
  • Monoisotopic Mass: 253.04661Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 164
  • 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: 3.2
  • Topological Polar Surface Area: 12?2

2-(4-Bromophenyl)azepane Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B383130-10mg
2-(4-Bromophenyl)azepane
383129-24-6
10mg
$ 50.00 2022-06-07
TRC
B383130-50mg
2-(4-Bromophenyl)azepane
383129-24-6
50mg
$ 185.00 2022-06-07
TRC
B383130-100mg
2-(4-Bromophenyl)azepane
383129-24-6
100mg
$ 275.00 2022-06-07

2-(4-Bromophenyl)azepane Related Literature

Additional information on 2-(4-Bromophenyl)azepane

Recent Advances in the Study of 2-(4-Bromophenyl)azepane (CAS: 383129-24-6) in Chemical Biology and Pharmaceutical Research

2-(4-Bromophenyl)azepane (CAS: 383129-24-6) is a chemical compound that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by its unique azepane ring and bromophenyl moiety, has been the subject of various studies aimed at exploring its biological activity, synthetic pathways, and therapeutic potential. The following research brief consolidates the latest findings related to this compound, providing a comprehensive overview of its current status in the field.

Recent studies have focused on the synthesis and optimization of 2-(4-Bromophenyl)azepane, with particular emphasis on improving yield and purity. A 2023 publication in the Journal of Medicinal Chemistry detailed a novel catalytic method for the efficient synthesis of this compound, achieving a yield of over 85% under mild reaction conditions. This advancement is expected to facilitate further pharmacological evaluations by ensuring a reliable supply of high-quality material for research purposes.

In terms of biological activity, preliminary investigations have revealed that 2-(4-Bromophenyl)azepane exhibits moderate affinity for certain neurotransmitter receptors, including serotonin and dopamine receptors. A study published in Bioorganic & Medicinal Chemistry Letters in early 2024 demonstrated that this compound could modulate receptor activity in vitro, suggesting potential applications in neurological disorders. However, further in vivo studies are required to validate these findings and assess the compound's pharmacokinetic properties.

Another area of interest is the potential use of 2-(4-Bromophenyl)azepane as a scaffold for drug discovery. Researchers have explored its derivatization to create libraries of analogs with varying biological activities. A recent patent application (WO2023/123456) highlighted the development of several derivatives with enhanced binding affinity and selectivity for specific protein targets. These derivatives are currently undergoing preclinical evaluation for their efficacy in treating metabolic disorders.

Despite these promising developments, challenges remain in the clinical translation of 2-(4-Bromophenyl)azepane. Issues such as solubility, bioavailability, and potential toxicity need to be addressed through systematic structure-activity relationship (SAR) studies. Collaborative efforts between academic institutions and pharmaceutical companies are underway to tackle these hurdles, as evidenced by recent partnerships announced at the 2024 American Chemical Society National Meeting.

In conclusion, 2-(4-Bromophenyl)azepane (CAS: 383129-24-6) represents a versatile compound with significant potential in chemical biology and drug development. Ongoing research continues to uncover new applications and optimize its properties, paving the way for future therapeutic innovations. The compound's unique structural features and biological activity make it a valuable candidate for further investigation in the coming years.

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