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

CAS: 52479-85-3 Cat. No.: E136362 Fórmula: C₁₃H₁₀O₇ Peso molecular: 278.22 Beilstein Registry Number: 8(3)4364 Número CE: 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

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(HPLC)

Propriedades do produto

• ALogP: 1.7

Nomes e identificadores

• Pubchem Sid: 504753599
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753599
• Sorrisos canónicos: 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
• SMILES isoméricas: 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
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

Homo sapiens (32628 Activities)

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Alvos associados (não 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

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO:Soluble
• Sensibilidade: Moisture sensitive
• Ponto de fusão (°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