Cas no 727387-19-1 (N-(4-aminophenyl)-5-methyl-2-furamide)

N-(4-aminophenyl)-5-methyl-2-furamide is a furan-based aromatic amide compound with potential applications in pharmaceutical and agrochemical research. Its structure features a 5-methylfuran moiety linked to a 4-aminophenyl group via an amide bond, offering versatility as an intermediate in synthetic chemistry. The presence of both amine and amide functional groups enhances its reactivity, making it suitable for further derivatization or as a building block in heterocyclic synthesis. The compound exhibits stability under standard conditions and demonstrates compatibility with a range of organic reactions. Its well-defined molecular architecture makes it valuable for studies involving structure-activity relationships in drug discovery or material science applications.
N-(4-aminophenyl)-5-methyl-2-furamide structure
727387-19-1 structure
Product Name:N-(4-aminophenyl)-5-methyl-2-furamide
CAS No:727387-19-1
MF:C12H12N2O2
MW:216.235882759094
MDL:MFCD00448324
CID:1085804
PubChem ID:17384338
Update Time:2025-06-07

N-(4-aminophenyl)-5-methyl-2-furamide Chemical and Physical Properties

Names and Identifiers

    • N-(4-Aminophenyl)-5-methylfuran-2-carboxamide
    • N-(4-aminophenyl)-5-methyl-2-furamide(SALTDATA: FREE)
    • AG-G-86544
    • AGN-PC-01G7AP
    • CTK5D6736
    • MolPort-001-012-945
    • SureCN7777752
    • AKOS003240781
    • DTXSID60589563
    • MFCD00448324
    • 727387-19-1
    • CS-0331223
    • CHEMBRDG-BB 5925667
    • SCHEMBL7777752
    • BS-36235
    • N-(4-AMINOPHENYL)-5-METHYL-2-FURAMIDE
    • DB-119660
    • N-(4-aminophenyl)-5-methyl-2-furamide
    • MDL: MFCD00448324
    • Inchi: 1S/C12H12N2O2/c1-8-2-7-11(16-8)12(15)14-10-5-3-9(13)4-6-10/h2-7H,13H2,1H3,(H,14,15)
    • InChI Key: ZNLDWGQJCVKSBK-UHFFFAOYSA-N
    • SMILES: O1C(C)=CC=C1C(NC1C=CC(=CC=1)N)=O

Computed Properties

  • Exact Mass: 216.09000
  • Monoisotopic Mass: 216.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 249
  • 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: 1.9
  • Topological Polar Surface Area: 68.3?2

Experimental Properties

  • PSA: 68.26000
  • LogP: 3.07670

N-(4-aminophenyl)-5-methyl-2-furamide Customs Data

  • HS CODE:2932190090
  • Customs Data:

    China Customs Code:

    2932190090

    Overview:

    2932190090 Other structurally non fused furan ring compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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Additional information on N-(4-aminophenyl)-5-methyl-2-furamide

Professional Introduction to N-(4-aminophenyl)-5-methyl-2-furamide (CAS No. 727387-19-1)

N-(4-aminophenyl)-5-methyl-2-furamide is a significant compound in the field of pharmaceutical chemistry, characterized by its unique structural and functional properties. This compound, identified by the CAS number 727387-19-1, has garnered attention due to its potential applications in drug development and molecular research. The presence of both aromatic and heterocyclic moieties in its structure makes it a versatile candidate for various biochemical interactions.

The molecular structure of N-(4-aminophenyl)-5-methyl-2-furamide consists of a furamide group attached to a phenyl ring with an amino substituent at the 4-position and a methyl group at the 5-position of the furan ring. This configuration allows for diverse chemical modifications and functionalizations, making it a valuable intermediate in synthetic chemistry. The compound's solubility profile and stability under different conditions further enhance its utility in laboratory settings.

In recent years, there has been growing interest in exploring the pharmacological properties of N-(4-aminophenyl)-5-methyl-2-furamide. Research has indicated that this compound exhibits promising activities against various biological targets, including enzymes and receptors involved in inflammatory pathways. Studies have shown that derivatives of this molecule can modulate the activity of enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX), which are key players in the inflammatory response.

One of the most intriguing aspects of N-(4-aminophenyl)-5-methyl-2-furamide is its potential as a scaffold for drug discovery. The combination of an amino group and a furamide moiety provides multiple sites for chemical modification, allowing researchers to tailor the compound's properties for specific therapeutic applications. For instance, modifications at the 4-amino position can enhance binding affinity to target proteins, while alterations at the furamide group can influence metabolic stability and bioavailability.

Recent advancements in computational chemistry have enabled more efficient screening of compounds like N-(4-aminophenyl)-5-methyl-2-furamide. Molecular docking studies have identified potential interactions between this compound and various therapeutic targets, providing insights into its mechanism of action. These studies have also highlighted the importance of optimizing the compound's structure to improve its pharmacokinetic properties, such as solubility, permeability, and metabolic clearance.

The synthesis of N-(4-aminophenyl)-5-methyl-2-furamide involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies, including transition metal-catalyzed cross-coupling reactions and asymmetric synthesis, have been employed to achieve high yields and enantioselectivity. These techniques not only improve the efficiency of production but also allow for the generation of enantiomerically pure compounds, which are crucial for pharmaceutical applications.

The role of N-(4-aminophenyl)-5-methyl-2-furamide in medicinal chemistry extends beyond its use as an intermediate. It has been investigated as a potential lead compound for treating inflammatory diseases, pain management, and even certain types of cancer. The ability to fine-tune its chemical structure has led to the development of novel analogs with enhanced therapeutic efficacy and reduced side effects. This underscores the importance of continued research into this compound and its derivatives.

In conclusion, N-(4-aminophenyl)-5-methyl-2-furamide (CAS No. 727387-19-1) represents a significant advancement in pharmaceutical chemistry. Its unique structural features, combined with its promising biological activities, make it a valuable asset in drug development efforts. As research progresses, further insights into its mechanisms of action and potential therapeutic applications will continue to emerge, solidifying its role as a key compound in modern medicinal chemistry.

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