NOT Receptor Modulator 1 - ≥98% , CAS No.1015231-98-7

CAS: 1015231-98-7 Cat. No.: N1046885 Peso molecular: 362.8 PubChem CID: 24759785

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

MODULATOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C1=CC=CC(=C1)C2=CN3C=C(N=C3C=C2)C4=CC=C(C=C4)Cl)O
• IUPAC Name: 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propan-2-ol
• InChIKey: YQUSXNRKHZXSGH-UHFFFAOYSA-N
• INCHI: 1S/C22H19ClN2O/c1-22(2,26)18-5-3-4-16(12-18)17-8-11-21-24-20(14-25(21)13-17)15-6-9-19(23)10-7-15/h3-14,26H,1-2H3
• Isómeros SMILES: CC(C)(C1=CC=CC(=C1)C2=CN3C=C(N=C3C=C2)C4=CC=C(C=C4)Cl)O
• PubChem CID: 24759785
• Peso molecular: 362.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Phenylimidazoles Phenylpropanes Imidazopyridines Imidazo[1,2-a]pyridines Chlorobenzenes N-substituted imidazoles Aryl chlorides Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-phenylpyridine - 5-phenylimidazole - 4-phenylimidazole - Imidazo[1,2-a]pyridine - Imidazopyridine - Phenylpropane - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Tertiary alcohol - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Alcohol - Aromatic alcohol - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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: 362.800 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 362.119 Da
• Monoisotopic Mass: 362.119 Da
• Topological Polar Surface Area: 37.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 477.000
• 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