(E)-4'-Methylchalcone - ≥98% , CAS No.14802-30-3

CAS: 14802-30-3 Cat. No.: E404658 Fórmula: C₁₆H₁₄O Peso molecular: 222.29

GRADE & PURITY ≥98%

Synonyms

AKOS005607952 | (E)-3-phenyl-1-(p-tolyl)prop-2-en-1-one | 4'-Methylchalcone | (E)-4'-Methylchalcone | SSXZWAYXQSKEMV-FMIVXFBMSA-N | (2E)-1-(4-Methylphenyl)-3-phenyl-2-propen-1-one # | (2E)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one | 2-Propen-1-one, 1-(4-

Storage

Room temperature

Specifications

Sinónimos

AKOS005607952 | (E)-3-phenyl-1-(p-tolyl)prop-2-en-1-one | 4'-Methylchalcone | (E)-4'-Methylchalcone | SSXZWAYXQSKEMV-FMIVXFBMSA-N | (2E)-1-(4-Methylphenyl)-3-phenyl-2-propen-1-one # | (2E)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one | 2-Propen-1-one, 1-(4-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504763796
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763796
• Sonrisas canónicas: CC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2
• IUPAC Name: (E)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
• InChIKey: SSXZWAYXQSKEMV-FMIVXFBMSA-N
• INCHI: 1S/C16H14O/c1-13-7-10-15(11-8-13)16(17)12-9-14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
• Isómeros SMILES: CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2
• Peso molecular: 222.29
• Reaxy-Rn: 743698
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=743698&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Linear 1,3-diarylpropanoids
      • Subclass Chalcones and dihydrochalcones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: Retrochalcones
• Alternative Parents: Styrenes Benzoyl derivatives Aryl ketones Toluenes Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Retrochalcone - Benzoyl - Styrene - Aryl ketone - Toluene - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
• 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

Objetivos asociados (humanos)

HepG2 (196354 Activities)

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Objetivos asociados (no humanos)

Pfmrk Protein kinase Pfmrk (149 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Dickeya chrysanthemi (75 Activities)

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Bacillus pumilus (984 Activities)

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Bacillus thuringiensis (718 Activities)

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Entamoeba histolytica (2676 Activities)

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Plasmodium falciparum (966862 Activities)

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Xanthomonas oryzae (286 Activities)

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Athelia rolfsii (768 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 57 °C
• Peso molecular: 222.280 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 222.104 Da
• Monoisotopic Mass: 222.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 265.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

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

The CAS Number is 14802-30-3, the molecular formula is C16H14O, and the molecular weight is 222.29 g/mol. InChIKey SSXZWAYXQSKEMV-FMIVXFBMSA-N.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.