S 24795 - ≥98% , CAS No.304679-75-2

CAS: 304679-75-2 Cat. No.: S287505 Molecular Weight: 418.07 EC Number: 808-959-4 PubChem CID: 9888248

GRADE & PURITY ≥98%

Synonyms

S 24795 | HY-11053 | S 24795, >=98% (HPLC) | 2-[2-(4-bromophenyl)-2-oxoethyl]-1-methylpyridiniumiodide | 2-[2-(4-Bromophenyl)-2-oxoethyl]-1-methylpyridinium iodide | AKOS024457657 | s-24795 | 1-(4-bromophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone;iodide

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

S 24795 | HY-11053 | S 24795, >=98% (HPLC) | 2-[2-(4-bromophenyl)-2-oxoethyl]-1-methylpyridiniumiodide | 2-[2-(4-Bromophenyl)-2-oxoethyl]-1-methylpyridinium iodide | AKOS024457657 | s-24795 | 1-(4-bromophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone;iodide

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Partial agonist ofα7 nAChR. Improves mnemonic function in aged mice for the treatment of aging-related memory disturbances. Displays more efficient memory-enhancing effects thanmemantine in Alzheimer's disease mouse models.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C[N+]1=CC=CC=C1CC(=O)C2=CC=C(C=C2)Br.[I-]
• IUPAC Name: 1-(4-bromophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone;iodide
• InChIKey: LERUHBBUGAOYOD-UHFFFAOYSA-M
• INCHI: 1S/C14H13BrNO.HI/c1-16-9-3-2-4-13(16)10-14(17)11-5-7-12(15)8-6-11;/h2-9H,10H2,1H3;1H/q+1;/p-1
• Isomeric SMILES: C[N+]1=CC=CC=C1CC(=O)C2=CC=C(C=C2)Br.[I-]
• PubChem CID: 9888248
• Molecular Weight: 418.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones N-methylpyridinium compounds Bromobenzenes Pyridinium derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Organic iodide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - N-methylpyridinium - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyridinium - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic iodide salt - Hydrocarbon derivative - Organic oxide - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 4.18, Max Conc. mM: 10 with gentle warming; Solvent:DMSO, Max Conc. mg/mL: 41.81, Max Conc. mM: 100
• Sensitivity: light sensitive
• Molecular Weight: 418.070 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 416.923 Da
• Monoisotopic Mass: 416.923 Da
• Topological Polar Surface Area: 21.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 261.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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