Exifone - ≥98%(HPLC) , CAS No.52479-85-3

CAS: 52479-85-3 Cat. No.: E136362 Peso molecular: 278.22 Beilstein Registry Number: 8(3)4364 Número EC: 257-945-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

EXIFONE|52479-85-3|2,3,3',4,4',5'-Hexahydroxybenzophenone|Adlone|(2,3,4-Trihydroxyphenyl)(3,4,5-trihydroxyphenyl)methanone|4-Galloylpyrogallol|Exifone [INN]|(2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone|NSC 680919|NSC-680919|NSC680919|Methano

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

EXIFONE | 52479-85-3 | 2, 3, 3', 4, 4', 5'-Hexahydroxybenzophenone | Adlone | (2, 3, 4-Trihydroxyphenyl)(3, 4, 5-trihydroxyphenyl)methanone | 4-Galloylpyrogallol | Exifone [INN] | (2, 3, 4-trihydroxyphenyl)-(3, 4, 5-trihydroxyphenyl)methanone | NSC 680919 | NSC-680919 | NSC680919 | Methano

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(HPLC)

Propiedades del producto

• ALogP: 1.7

Nombres e identificadores

• Pubchem Sid: 504753599
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753599
• Sonrisas canónicas: C1=CC(=C(C(=C1C(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O
• IUPAC Name: (2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
• InChIKey: XEDWWPGWIXPVRQ-UHFFFAOYSA-N
• INCHI: 1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H
• Isómeros SMILES: C1=CC(=C(C(=C1C(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O
• RTECS: PC4995000
• Peso molecular: 278.22
• Beilstein: 8(3)4364
• Reaxy-Rn: 3401917
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3401917&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones 5-unsubstituted pyrrogallols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzenetriol - Pyrogallol derivative - 5-unsubstituted pyrrogallol - Aryl ketone - Benzoyl - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Ketone - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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)

Homo sapiens (32628 Activities)

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Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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HT-22 (3261 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO:Soluble
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 280°C(lit.)
• Peso molecular: 278.210 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 278.043 Da
• Monoisotopic Mass: 278.043 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 349.000
• 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