Prifelone , CAS No.69425-13-4

CAS: 69425-13-4 Cat. No.: P1343480 Formule: C₁₉H₂₄O₂S Poids moléculaire: 316.5

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Specifications

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Expédié en

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Type d'action

INHIBITOR

Noms et identifiants

• Sourires canoniques: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=CC=CS2
• IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)-thiophen-2-ylmethanone
• InChIKey: WAAVMZLJRXYRMA-UHFFFAOYSA-N
• INCHI: 1S/C19H24O2S/c1-18(2,3)13-10-12(16(20)15-8-7-9-22-15)11-14(17(13)21)19(4,5)6/h7-11,21H,1-6H3
• Poids moléculaire: 316.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Aryl-phenylketones
• Alternative Parents: Phenylpropanes Thiophene carboxylic acids and derivatives Benzoyl derivatives Phenols Heteroaromatic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-phenylketone - Phenylpropane - Thiophene carboxylic acid or derivatives - Benzoyl - Phenol - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl 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

Propriétés chimiques et physiques

• Poids moléculaire: 316.500 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 316.15 Da
• Monoisotopic Mass: 316.15 Da
• Topological Polar Surface Area: 65.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 381.000
• 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: 1

Foire aux questions

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 69425-13-4, the molecular formula is C19H24O2S, and the molecular weight is 316.5 g/mol. InChIKey WAAVMZLJRXYRMA-UHFFFAOYSA-N.

What documentation is provided?

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