Cas no 89399-21-3 (Benzamide, N-hexyl-4-nitro-)

Benzamide, N-hexyl-4-nitro-, is a nitro-substituted aromatic amide compound characterized by its hexyl chain at the amide nitrogen. This structural configuration imparts unique physicochemical properties, including moderate lipophilicity and stability under standard conditions. The nitro group at the para position enhances its reactivity, making it a potential intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. Its well-defined molecular structure allows for precise functionalization, offering utility in cross-coupling reactions or as a precursor for further derivatization. The compound’s purity and consistent performance make it suitable for research and industrial applications requiring controlled nitroaromatic frameworks. Proper handling is advised due to potential sensitivity to heat or strong oxidizers.
Benzamide, N-hexyl-4-nitro- structure
Benzamide, N-hexyl-4-nitro- structure
Product Name:Benzamide, N-hexyl-4-nitro-
CAS No:89399-21-3
MF:C13H18N2O3
MW:250.293623447418
CID:602203
PubChem ID:4080064
Update Time:2025-06-14

Benzamide, N-hexyl-4-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzamide, N-hexyl-4-nitro-
    • N-hexyl-4-nitrobenzamide
    • N-n-Hexyl-4-nitrobenzamide
    • 89399-21-3
    • DTXSID60399109
    • AKOS003870632
    • N-hexyl-4-nitro-benzamide
    • SCHEMBL11048249
    • MDL: MFCD00229049
    • Inchi: 1S/C13H18N2O3/c1-2-3-4-5-10-14-13(16)11-6-8-12(9-7-11)15(17)18/h6-9H,2-5,10H2,1H3,(H,14,16)
    • InChI Key: YIQCYVHPIUGJKJ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1)[N+](=O)[O-])NCCCCCC

Computed Properties

  • Exact Mass: 250.132
  • Monoisotopic Mass: 250.132
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 8
  • Complexity: 268
  • 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: 3.3
  • Topological Polar Surface Area: 74.9?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 425.1±28.0 °C at 760 mmHg
  • Flash Point: 210.9±24.0 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

Benzamide, N-hexyl-4-nitro- Security Information

Benzamide, N-hexyl-4-nitro- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1531770-250mg
N-hexyl-4-nitrobenzamide
89399-21-3 98%
250mg
¥2754.00 2024-04-26
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1531770-1g
N-hexyl-4-nitrobenzamide
89399-21-3 98%
1g
¥8187.00 2024-04-26

Additional information on Benzamide, N-hexyl-4-nitro-

Recent Advances in the Study of Benzamide, N-hexyl-4-nitro- (CAS: 89399-21-3): A Comprehensive Research Brief

Benzamide, N-hexyl-4-nitro- (CAS: 89399-21-3) is a chemical compound that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential therapeutic applications. This research brief aims to provide an overview of the latest studies and developments related to this compound, focusing on its synthesis, biological activity, and potential applications in drug discovery and development.

Recent literature highlights the role of Benzamide, N-hexyl-4-nitro- as a promising scaffold in medicinal chemistry. Studies have demonstrated its efficacy in modulating specific biological pathways, particularly those involved in inflammation and cancer. The compound's unique chemical structure, characterized by the presence of a nitro group and a hexyl chain, contributes to its bioactivity and selectivity towards certain molecular targets.

One of the key findings from recent research is the compound's ability to inhibit the activity of certain enzymes, such as histone deacetylases (HDACs), which play a crucial role in gene expression and cell proliferation. This inhibitory activity has been linked to potential anti-cancer effects, making Benzamide, N-hexyl-4-nitro- a candidate for further investigation in oncology drug development.

In addition to its anti-cancer properties, studies have also explored the compound's anti-inflammatory effects. Research indicates that Benzamide, N-hexyl-4-nitro- can suppress the production of pro-inflammatory cytokines, suggesting its potential utility in treating inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease.

The synthesis of Benzamide, N-hexyl-4-nitro- has been optimized in recent studies to improve yield and purity. Advanced techniques such as microwave-assisted synthesis and green chemistry approaches have been employed to enhance the efficiency of the synthetic process. These advancements are critical for scaling up production and ensuring the compound's availability for further preclinical and clinical studies.

Despite the promising findings, challenges remain in the development of Benzamide, N-hexyl-4-nitro- as a therapeutic agent. Issues such as bioavailability, metabolic stability, and potential toxicity need to be addressed through comprehensive pharmacokinetic and pharmacodynamic studies. Future research directions may include structural modifications to improve the compound's drug-like properties and the exploration of its mechanism of action at the molecular level.

In conclusion, Benzamide, N-hexyl-4-nitro- (CAS: 89399-21-3) represents a valuable compound in the field of chemical biology and pharmaceutical research. Its diverse biological activities and potential therapeutic applications make it a subject of ongoing investigation. Continued research efforts will be essential to fully elucidate its pharmacological profile and translate these findings into clinical applications.

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