Rilopirox - ≥95% , CAS No.104153-37-9

CAS: 104153-37-9 Cat. No.: R1047734 PubChem CID: 71778

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

INHIBITOR

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=O)N(C(=C1)COC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)O
• IUPAC Name: 6-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-4-methylpyridin-2-one
• InChIKey: UDYUIWXQUBNDHC-UHFFFAOYSA-N
• INCHI: 1S/C19H16ClNO4/c1-13-10-15(21(23)19(22)11-13)12-24-16-6-8-18(9-7-16)25-17-4-2-14(20)3-5-17/h2-11,23H,12H2,1H3
• Isómeros SMILES: CC1=CC(=O)N(C(=C1)COC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)O
• CAS alternativo: 104153-37-9
• PubChem CID: 71778
• Términos de entrada MeSH: 6-((4-chlorophenoxy)methyl)-1-hydroxy-4-methyl-2(1H)-pyridone;rilopirox

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Pyridinones Alkyl aryl ethers Chlorobenzenes Methylpyridines Dihydropyridines Aryl chlorides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenol ether - Phenoxy compound - Halobenzene - Dihydropyridine - Alkyl aryl ether - Pyridinone - Methylpyridine - Chlorobenzene - Pyridine - Aryl chloride - Hydropyridine - Aryl halide - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Ether - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

Propiedades químicas y físicas

• Peso molecular: 357.800 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 357.077 Da
• Monoisotopic Mass: 357.077 Da
• Topological Polar Surface Area: 59.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 532.000
• 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