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

CAS: 14802-30-3 Cat. No.: E404658 Summenformel: C₁₆H₁₄O Molekulargewicht: 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

Synonyme

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-

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504763796
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763796
• Kanonisches Lächeln: 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+
• Isomere SMILES: CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2
• Molekulargewicht: 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
    • Klasse Linear 1,3-diarylpropanoids
      • Subclass Chalcones and dihydrochalcones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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
• Beschreibung: 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

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Pfmrk Protein kinase Pfmrk (149 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Schmelzpunkt (°C): 57 °C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.