RU58841 - ≥99% , CAS No.154992-24-2

CAS: 154992-24-2 Cat. No.: R339893 Summenformel: C₁₇H₁₈F₃N₃O₃ Molekulargewicht: 369.34 PubChem CID: 132981

GRADE & PURITY ≥99%

Synonyms

0D8FJQ0ADW | NCGC00378632-02 | 4-(4,4-dimethyl 2,5-dioxo 3-(4-hydroxy butyl) 1-imidazolidinyl) 2-(trifluoromethyl) benzonitrile | 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile | HY-10561 | 4-(3-(4-hydroxybu

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

0D8FJQ0ADW | NCGC00378632-02 | 4-(4,4-dimethyl 2,5-dioxo 3-(4-hydroxy butyl) 1-imidazolidinyl) 2-(trifluoromethyl) benzonitrile | 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile | HY-10561 | 4-(3-(4-hydroxybu

Spezifikationen & Reinheit

≥99%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 504757015
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757015
• Kanonisches Lächeln: CC1(C(=O)N(C(=O)N1CCCCO)C2=CC(=C(C=C2)C#N)C(F)(F)F)C
• IUPAC Name: 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
• InChIKey: ARBYGDBJECGMGA-UHFFFAOYSA-N
• INCHI: 1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
• Isomere SMILES: CC1(C(=O)N(C(=O)N1CCCCO)C2=CC(=C(C=C2)C#N)C(F)(F)F)C
• PubChem CID: 132981
• Molekulargewicht: 369.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azolidines
      • Subclass Imidazolidines
        • Ebene5 Imidazolidinones
          • Ebene6 Imidazolidinediones
            • Ebene7 Hydantoins
              • Ebene8 Phenylhydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones - Hydantoins
• Direct Parent: Phenylhydantoins
• Alternative Parents: Phenylimidazolidines Trifluoromethylbenzenes Alpha amino acids and derivatives Benzonitriles N-acyl ureas Dicarboximides Nitriles Alkanolamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Primary alcohols Alkyl fluorides Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylhydantoin - Phenylimidazolidine - Trifluoromethylbenzene - Alpha-amino acid or derivatives - Benzonitrile - Ureide - N-acyl urea - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Alkanolamine - Carbonitrile - Nitrile - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by 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

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AR Tclin Androgen Receptor (11781 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: ≥36.9 mg/mL in DMSO; insoluble in H2O; ≥87.6 mg/mL in EtOH
• Schmelzpunkt (°C): 103.5-104.2° C
• Molekulargewicht: 369.340 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 369.13 Da
• Monoisotopic Mass: 369.13 Da
• Topological Polar Surface Area: 84.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 611.000
• 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