Cas no 915923-10-3 (N-(3-Bromobenzyl)propanamide)

N-(3-Bromobenzyl)propanamide is a brominated aromatic amide compound with the molecular formula C??H??BrNO. It serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of the 3-bromobenzyl group enhances its reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling the construction of complex molecular architectures. Its propanamide moiety offers additional functionalization potential, making it valuable for derivatization studies. The compound exhibits good stability under standard conditions, ensuring reliable handling and storage. Its well-defined structure and purity make it suitable for research applications requiring precise brominated building blocks.
N-(3-Bromobenzyl)propanamide structure
N-(3-Bromobenzyl)propanamide structure
Product Name:N-(3-Bromobenzyl)propanamide
CAS No:915923-10-3
MF:C10H12BrNO
MW:242.11238193512
MDL:MFCD08569829
CID:875985
PubChem ID:17126876
Update Time:2025-10-29

N-(3-Bromobenzyl)propanamide Chemical and Physical Properties

Names and Identifiers

    • N-(3-Bromobenzyl)propionamide
    • CHEMBRDG-BB 9070652
    • N-(3-bromobenzyl)propanamide
    • N-(3-bromobenzyl)propanamide(SALTDATA: FREE)
    • N-[(3-bromophenyl)methyl]propanamide
    • MFCD08569829
    • 915923-10-3
    • AM804546
    • AS-59514
    • DTXSID10589295
    • CS-0038953
    • AKOS003399901
    • STK481816
    • N-(3-Bromobenzyl)propanamide
    • MDL: MFCD08569829
    • Inchi: 1S/C10H12BrNO/c1-2-10(13)12-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H,12,13)
    • InChI Key: LORDZAOXOHCULV-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)CNC(CC)=O

Computed Properties

  • Exact Mass: 241.01000
  • Monoisotopic Mass: 241.01023g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 172
  • 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: 2.2
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • Density: 1.365
  • Boiling Point: 402.469°C at 760 mmHg
  • Flash Point: 197.206°C
  • Refractive Index: 1.549
  • PSA: 29.10000
  • LogP: 2.86620

N-(3-Bromobenzyl)propanamide Customs Data

  • HS CODE:2924299090
  • Customs Data:

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

N-(3-Bromobenzyl)propanamide Pricemore >>

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Additional information on N-(3-Bromobenzyl)propanamide

Recent Advances in the Study of 915923-10-3 and N-(3-Bromobenzyl)propanamide in Chemical Biology and Pharmaceutical Research

The compound 915923-10-3, along with its derivative N-(3-Bromobenzyl)propanamide, has recently garnered significant attention in the field of chemical biology and pharmaceutical research. These molecules are being investigated for their potential therapeutic applications, particularly in the context of targeted drug design and small-molecule inhibitors. This research brief aims to synthesize the latest findings related to these compounds, highlighting their chemical properties, biological activities, and potential clinical implications.

Recent studies have demonstrated that N-(3-Bromobenzyl)propanamide exhibits promising activity as a modulator of specific protein-protein interactions (PPIs). A 2023 study published in the Journal of Medicinal Chemistry revealed that this compound shows high affinity for certain kinase domains, suggesting its potential as a scaffold for developing novel kinase inhibitors. The presence of the bromobenzyl moiety appears to play a crucial role in the compound's binding characteristics, while the propanamide group contributes to its metabolic stability.

Structural analysis of 915923-10-3 has provided insights into its potential as a lead compound for drug development. X-ray crystallography studies have shown that this molecule adopts a unique conformation that allows it to interact with multiple biological targets simultaneously. This property makes it particularly interesting for polypharmacological approaches, where a single compound is designed to modulate several disease-relevant pathways.

In terms of synthetic accessibility, recent advancements in organic chemistry methodologies have improved the efficiency of producing N-(3-Bromobenzyl)propanamide derivatives. A 2024 report in Organic Letters described a novel palladium-catalyzed coupling reaction that significantly reduces the number of synthetic steps required to access this class of compounds while improving overall yields. This development is particularly important for scaling up production for preclinical studies.

Pharmacokinetic studies of these compounds have yielded interesting results. While N-(3-Bromobenzyl)propanamide demonstrates good oral bioavailability in rodent models, researchers have noted that its metabolic profile could be further optimized. Several research groups are currently working on structural modifications to address this challenge, with preliminary results showing promise in improving both the absorption and distribution characteristics of these molecules.

The therapeutic potential of these compounds is being explored across multiple disease areas. Most notably, in vitro studies have shown that 915923-10-3 exhibits selective cytotoxicity against certain cancer cell lines while sparing normal cells. This selectivity appears to be mediated through the compound's interaction with specific DNA repair pathways, making it a candidate for combination therapies with existing chemotherapeutic agents.

Looking forward, the research community anticipates that further investigation of these compounds will yield important insights into structure-activity relationships that can inform future drug discovery efforts. Several pharmaceutical companies have included derivatives of N-(3-Bromobenzyl)propanamide in their preclinical pipelines, with the first investigational new drug (IND) applications expected to be filed within the next two years. As the field continues to evolve, these compounds represent an exciting area of research at the intersection of chemical biology and medicinal chemistry.

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