Cas no 18636-87-8 (Benzoaphenazine 12-Oxide)

Benzoaphenazine 12-Oxide structure
Benzoaphenazine 12-Oxide structure
Product Name:Benzoaphenazine 12-Oxide
CAS No:18636-87-8
MF:C16H10N2O
MW:246.26340341568
MDL:MFCD00043580
CID:230796
PubChem ID:140406
Update Time:2025-07-01

Benzoaphenazine 12-Oxide Chemical and Physical Properties

Names and Identifiers

    • Benzo(a)phenazine 12-oxide
    • 12-oxidobenzo[a]phenazin-12-ium
    • BENZO[A]PHENAZINE 12-OXIDE
    • BENZO[A]PHENAZINE 12-OXIDE ---YELLOW NEEDLES---
    • Benzo <a>-phenazin-12-oxid
    • benzo[a]phenazin-12-ol
    • Benzo<a>phenazin-N-oxyd
    • TIMTEC-BB SBB008092
    • Benzo[a]phenazine12-oxide
    • 18636-87-8
    • MFCD00043580
    • METHYL4-ACETYL-5-OXOHEXANOATE
    • FT-0622679
    • Benzo[a]phenazine, 12-oxide
    • DTXSID40171884
    • SCHEMBL7915668
    • AKOS015840826
    • Benzoaphenazine 12-Oxide
    • MDL: MFCD00043580
    • Inchi: 1S/C16H10N2O/c19-18-15-8-4-3-7-13(15)17-14-10-9-11-5-1-2-6-12(11)16(14)18/h1-10H
    • InChI Key: QOEUHFSHKLIUGS-UHFFFAOYSA-N
    • SMILES: [O-][N+]1C2C=CC=CC=2N=C2C=CC3C=CC=CC=3C=12

Computed Properties

  • Exact Mass: 246.07900
  • Monoisotopic Mass: 246.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 0
  • Complexity: 335
  • 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: 2.9
  • Topological Polar Surface Area: 38.4?2

Experimental Properties

  • PSA: 38.35000
  • LogP: 3.96970

Benzoaphenazine 12-Oxide Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on Benzoaphenazine 12-Oxide

Benzoaphenazine 12-Oxide (CAS No. 18636-87-8): A Comprehensive Overview

Benzoaphenazine 12-Oxide, with the chemical formula C??H?N?O?, is a significant compound in the field of pharmaceutical chemistry and biochemistry. Its CAS number, CAS No. 18636-87-8, uniquely identifies it in scientific literature and databases, facilitating accurate referencing and research. This compound has garnered attention due to its unique structural properties and potential biological activities, making it a subject of extensive study in both academic and industrial research settings.

The molecular structure of Benzoaphenazine 12-Oxide consists of a benzoaphenazine core substituted with an oxygen group at the 12-position. This structural feature contributes to its distinct chemical behavior and reactivity, which are of great interest to researchers exploring novel pharmacophores. The presence of the oxygen atom introduces polarity to the molecule, influencing its solubility, stability, and interactions with biological targets.

In recent years, Benzoaphenazine 12-Oxide has been studied for its potential applications in drug discovery and development. Its unique chemical scaffold suggests possible utility in modulating various biological pathways, particularly those involving oxidative stress and inflammation. Preliminary studies have indicated that this compound may exhibit antioxidant properties, which could be beneficial in the treatment of oxidative-related diseases such as neurodegenerative disorders and cardiovascular conditions.

One of the most compelling aspects of Benzoaphenazine 12-Oxide is its structural similarity to other bioactive molecules that have shown promise in clinical trials. This similarity has prompted researchers to investigate its potential as a lead compound for further derivatization and optimization. By leveraging computational chemistry and high-throughput screening techniques, scientists are exploring ways to enhance its potency, selectivity, and pharmacokinetic profiles.

The synthesis of Benzoaphenazine 12-Oxide is another area of active research. Researchers have developed several synthetic routes to produce this compound with high yield and purity. These methods often involve multi-step organic transformations, including cyclization reactions and oxidation processes, which highlight the compound's synthetic accessibility. The development of efficient synthetic protocols is crucial for enabling large-scale production and further exploration of its biological activities.

Evaluation of the pharmacological properties of Benzoaphenazine 12-Oxide has revealed intriguing findings. In vitro studies have demonstrated its ability to interact with specific enzymes and receptors, suggesting potential therapeutic effects. For instance, it has been observed to inhibit certain inflammatory pathways by modulating key signaling molecules. Additionally, its interaction with mitochondrial respiration has been explored, indicating a possible role in managing metabolic disorders.

The toxicological profile of Benzoaphenazine 12-Oxide is also a critical area of investigation. Comprehensive safety assessments have been conducted to evaluate its acute and chronic toxicity. These studies have provided valuable insights into its safety margins and potential side effects, which are essential for determining its suitability for clinical development. The results from these toxicological studies are being used to refine dosing regimens and formulation strategies.

The future directions for research on Benzoaphenazine 12-Oxide are multifaceted. One key focus is on understanding its mechanism of action at a molecular level. Advanced techniques such as crystallography and spectroscopy are being employed to elucidate how this compound interacts with biological targets. This detailed understanding will be instrumental in designing more effective derivatives with enhanced therapeutic properties.

Furthermore, preclinical studies are being planned to assess the efficacy of Benzoaphenazine 12-Oxide in animal models of human diseases. These studies will provide critical data on its pharmacodynamics and pharmacokinetics, paving the way for potential clinical trials. Collaborations between academic institutions and pharmaceutical companies are fostering these preclinical efforts, bringing together expertise in chemistry, biology, and medicine.

The regulatory aspects associated with the development of Benzoaphenazine 12-Oxide are also being addressed. Compliance with regulatory guidelines from agencies such as the FDA and EMA is essential for ensuring that any future drug candidates derived from this compound meet stringent safety and efficacy standards. Engaging with regulatory bodies early in the development process can help streamline approvals and accelerate market entry.

In conclusion, Benzophenazine 12-Oxide (CAS No. 18636-87-8) represents a promising compound with significant potential in pharmaceutical research. Its unique structure, combined with preliminary evidence of bioactivity, makes it an attractive candidate for further exploration. As research continues to uncover new insights into its properties and applications, this compound is poised to contribute valuable advancements in the treatment of various diseases.

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