Cas no 312497-19-1 (3-chloro-N'-[(4-fluorophenyl)carbonyl]-1-benzothiophene-2-carbohydrazide)

3-Chloro-N'-[(4-fluorophenyl)carbonyl]-1-benzothiophene-2-carbohydrazide is a synthetic organic compound featuring a benzothiophene core functionalized with a chloro substituent at the 3-position and a carbohydrazide moiety linked to a 4-fluorobenzoyl group. This structure confers potential utility in medicinal chemistry and materials science due to its hybrid heterocyclic-aromatic framework, which may exhibit tailored electronic or binding properties. The presence of both halogenated (chloro, fluoro) and hydrazide functional groups enhances its reactivity, making it a versatile intermediate for further derivatization. Its well-defined molecular architecture allows for precise modifications, supporting applications in drug discovery or as a scaffold for specialized ligands.
3-chloro-N'-[(4-fluorophenyl)carbonyl]-1-benzothiophene-2-carbohydrazide structure
312497-19-1 structure
Product Name:3-chloro-N'-[(4-fluorophenyl)carbonyl]-1-benzothiophene-2-carbohydrazide
CAS No:312497-19-1
MF:C16H10ClFN2O2S
MW:348.779204845428
CID:3070774
PubChem ID:685168
Update Time:2025-06-14

3-chloro-N'-[(4-fluorophenyl)carbonyl]-1-benzothiophene-2-carbohydrazide Chemical and Physical Properties

Names and Identifiers

    • 3-chloro-N'-[(4-fluorophenyl)carbonyl]-1-benzothiophene-2-carbohydrazide
    • SR-01000520563-1
    • 4-Fluoro-benzoic acid N'-(3-chloro-benzo[b]thiophene-2-carbonyl)-hydrazide
    • AKOS000577694
    • N'-(3-CHLORO-1-BENZOTHIOPHENE-2-CARBONYL)-4-FLUOROBENZOHYDRAZIDE
    • 3-chloro-N'-(4-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide
    • STK758410
    • 312497-19-1
    • CS-0359827
    • SR-01000520563
    • 3-Chloro-N'-(4-fluorobenzoyl)benzo[b]thiophene-2-carbohydrazide
    • AG-205/12125058
    • MDL: MFCD01414661
    • Inchi: 1S/C16H10ClFN2O2S/c17-13-11-3-1-2-4-12(11)23-14(13)16(22)20-19-15(21)9-5-7-10(18)8-6-9/h1-8H,(H,19,21)(H,20,22)
    • InChI Key: UTVYUFCVORGLBP-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(NNC(C2C=CC(=CC=2)F)=O)=O)SC2C=CC=CC=21

Computed Properties

  • Exact Mass: 348.0135546Da
  • Monoisotopic Mass: 348.0135546Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 459
  • 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: 4.4
  • Topological Polar Surface Area: 86.4?2

3-chloro-N'-[(4-fluorophenyl)carbonyl]-1-benzothiophene-2-carbohydrazide Pricemore >>

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3-chloro-N'-[(4-fluorophenyl)carbonyl]-1-benzothiophene-2-carbohydrazide Related Literature

Additional information on 3-chloro-N'-[(4-fluorophenyl)carbonyl]-1-benzothiophene-2-carbohydrazide

Comprehensive Overview of 3-chloro-N'-[(4-fluorophenyl)carbonyl]-1-benzothiophene-2-carbohydrazide (CAS No. 312497-19-1)

3-chloro-N'-[(4-fluorophenyl)carbonyl]-1-benzothiophene-2-carbohydrazide (CAS No. 312497-19-1) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This compound belongs to the class of benzothiophene derivatives, which are widely studied for their potential applications in drug discovery and material science. The presence of both chloro and fluoro substituents in its molecular framework enhances its reactivity and binding affinity, making it a valuable intermediate in synthetic chemistry.

In recent years, the demand for heterocyclic compounds like 3-chloro-N'-[(4-fluorophenyl)carbonyl]-1-benzothiophene-2-carbohydrazide has surged, driven by their role in developing novel therapeutics. Researchers are particularly interested in its potential as a kinase inhibitor or antimicrobial agent, topics frequently searched in academic and industrial databases. The compound's carbohydrazide moiety is a key feature, enabling it to participate in hydrogen bonding and other non-covalent interactions, which are critical for biological activity.

From a synthetic perspective, CAS No. 312497-19-1 is often synthesized via multi-step organic reactions, including acylations and condensations. Its purity and stability are meticulously controlled to meet the stringent requirements of high-throughput screening and combinatorial chemistry. Analytical techniques such as HPLC, NMR, and mass spectrometry are routinely employed to characterize this compound, ensuring its suitability for further research.

The growing interest in personalized medicine and targeted drug delivery has further highlighted the relevance of 3-chloro-N'-[(4-fluorophenyl)carbonyl]-1-benzothiophene-2-carbohydrazide. Its modular structure allows for facile derivatization, a feature highly sought after in medicinal chemistry. Online searches for "benzothiophene-based drug candidates" or "fluorophenyl derivatives in drug design" often lead to discussions involving this compound, underscoring its importance in contemporary research.

Environmental and regulatory considerations also play a role in the compound's applications. While it is not classified as hazardous, its handling requires standard laboratory precautions. The compound's biodegradability and ecotoxicity profiles are subjects of ongoing studies, aligning with the broader scientific community's focus on green chemistry principles.

In summary, 3-chloro-N'-[(4-fluorophenyl)carbonyl]-1-benzothiophene-2-carbohydrazide (CAS No. 312497-19-1) represents a versatile and promising scaffold in modern chemical research. Its structural complexity and functional diversity make it a focal point for innovations in drug development, material science, and beyond. As the scientific community continues to explore its potential, this compound is poised to remain a topic of significant interest and relevance.

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