2',4'-Dihydroxyacetophenone - 10mM in DMSO , CAS No.89-84-9

CAS: 89-84-9 Cat. No.: D426746 Formule: C₈H₈O₃ Poids moléculaire: 152.15 Beilstein Registry Number: 1282505 Numéro CE: 201-945-3

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

4-Acetylresorcinol | 4-Acetyl-Resorcinol | C03663 | Resacetophenone | D0561 | Q27103063 | S12324 | s4762 | 1-(2,4-Dihydroxyphenyl)ethanone, 9CI | FT-0610122 | RESACETOPHENONE [INCI] | UC3V356VZC | 2,4-dihyroxyacetophenone | 1-Acetyl-2,4-dihydroxybenzene |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Spécifications

Synonymes

4-Acetylresorcinol | 4-Acetyl-Resorcinol | C03663 | Resacetophenone | D0561 | Q27103063 | S12324 | s4762 | 1-(2,4-Dihydroxyphenyl)ethanone, 9CI | FT-0610122 | RESACETOPHENONE [INCI] | UC3V356VZC | 2,4-dihyroxyacetophenone | 1-Acetyl-2,4-dihydroxybenzene |

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Noms et identifiants

Pubchem Sid

528755489

Sourires canoniques

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

IUPAC Name

1-(2,4-dihydroxyphenyl)ethanone

InChIKey

SULYEHHGGXARJS-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

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

WGK Allemagne

2

RTECS

AM7525000

Poids moléculaire

152.15

Beilstein

1282505

Reaxy-Rn

1282505

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1282505&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 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 - Acetophenone - 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
• Description: 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: resorcinols - dihydroxyacetophenone

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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MAOA Tclin Monoamine oxidase A (11911 Activities)

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PC-3 (62116 Activities)

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SK-MEL-28 (48833 Activities)

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A549 (127892 Activities)

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SLC28A3 Tchem Solute carrier family 28 member 3 (29 Activities)

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Rattus norvegicus (775804 Activities)

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BCHE Cholinesterase (8742 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 145°C
• Poids moléculaire: 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