2',5'-Dihydroxyacetophenone - 10mM in DMSO , CAS No.490-78-8

CAS: 490-78-8 Cat. No.: D424247 Formula: C₈H₈O₃ Peso molecolare: 152.15 Beilstein Registry Number: 637903 Numero EC: 207-716-4

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

Acetophenone, 2',5'-dihydroxy- | AKOS000120785 | Z56889030 | AC-19701 | Acetylhydroquinone | 2 inverted exclamation mark ,5 inverted exclamation mark -Dihydroxyacetophenone | DTXSID9060077 | 1-(2,5-Dihydroxyphenyl)ethanone, 9CI | 2-ACETYL-1,4-BENZENEDIOL

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifiche

Sinonimi

Acetophenone, 2',5'-dihydroxy- | AKOS000120785 | Z56889030 | AC-19701 | Acetylhydroquinone | 2 inverted exclamation mark ,5 inverted exclamation mark -Dihydroxyacetophenone | DTXSID9060077 | 1-(2,5-Dihydroxyphenyl)ethanone, 9CI | 2-ACETYL-1,4-BENZENEDIOL

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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Tipo di azione

INHIBITOR

Nomi e identificatori

Pubchem Sid

528755578

Sorrisi canonici

CC(=O)C1=C(C=CC(=C1)O)O

IUPAC Name

1-(2,5-dihydroxyphenyl)ethanone

InChIKey

WLDWSGZHNBANIO-UHFFFAOYSA-N

INCHI

1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3

Isomeri SMILES

CC(=O)C1=C(C=CC(=C1)O)O

WGK Germania

3

RTECS

AM7700000

Peso molecolare

152.15

Beilstein

637903

Reaxy-Rn

637903

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637903&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Obiettivi associati (umani)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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Obiettivi associati (non umani)

Aspergillus flavus (8875 Activities)

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Aspergillus niger (16508 Activities)

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Pichia kudriavzevii (7448 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 203-207°C
• Peso molecolare: 152.150 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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