2',4'-Dihydroxypropiophenone - ≥98% , CAS No.5792-36-9

CAS: 5792-36-9 Cat. No.: D154234 Peso molecular: 166.18 Beilstein Registry Number: 8279 Número EC: 227-329-4

GRADE & PURITY ≥98%

Synonyms

2,4-Dihydroxyphenyl Ethyl Ketone | DTXSID90206630 | respropiophenone | 1-(2,4-Dihydroxyphenyl)-1-propanone # | 2',4'-Dihydroxypropiophenone, 99% | InChI=1/C9H10O3/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5,10,12H,2H2,1H | 1-(2,4-Dihydroxyphenyl)-1-propanone | BDB

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2, 4-Dihydroxyphenyl Ethyl Ketone | DTXSID90206630 | respropiophenone | 1-(2, 4-Dihydroxyphenyl)-1-propanone # | 2', 4'-Dihydroxypropiophenone, 99% | InChI=1/C9H10O3/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5, 10, 12H, 2H2, 1H | 1-(2, 4-Dihydroxyphenyl)-1-propanone | BDB

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185789
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185789
• Sonrisas canónicas: CCC(=O)C1=C(C=C(C=C1)O)O
• IUPAC Name: 1-(2,4-dihydroxyphenyl)propan-1-one
• InChIKey: LLBBBYLDTDJMNU-UHFFFAOYSA-N
• INCHI: 1S/C9H10O3/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5,10,12H,2H2,1H3
• Isómeros SMILES: CCC(=O)C1=C(C=C(C=C1)O)O
• WGK Alemania: 3
• Peso molecular: 166.18
• Beilstein: 8279
• Reaxy-Rn: 1238635
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1238635&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpropanes Resorcinols Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpropane - Aryl alkyl ketone - Resorcinol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

HSP90AB1 Tchem Heat shock protein HSP 90-beta (1689 Activities)

Discover Target: HSP90AB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 178°C/7mmHg(lit.)
• Punto de fusión (°C): 98-101°C
• Peso molecular: 166.170 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.063 Da
• Monoisotopic Mass: 166.063 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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

Referencias

1. Weiyu Wu, Ren Zhang, Geer Chen, Ziyu Chen, Zicong Lin, Yin Chen, Jiaqi Li, Weilin Liao, Junyi Wang, Xiaoxuan Wang, Junhao Huang, Lijuan Ma, Haijie Yu.  (2025)  Sappanchalcone Suppresses NSCLC by Oxidative Stress-Driven DNA Damage and ER Stress Activation through PIEZO1 Modulation.  iScience,      [PMID:41399507] [10.1016/j.isci.2025.114057]