WAY-637471 - ≥98% , CAS No.793729-44-9

CAS: 793729-44-9 Cat. No.: W417748 Summenformel: C₁₅H₉FN₄O₃S Molekulargewicht: 344.32 PubChem CID: 2566778

GRADE & PURITY ≥98%

Synonyms

2-(4-Fluorophenyl)-5-({[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,3,4-oxadiazole

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

antitubercular activity

Specifications

Synonyme

2-(4-Fluorophenyl)-5-({[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,3,4-oxadiazole

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Produkteigenschaften

ALogP

2.889

Rotationsfähige Bindung

5

Namen und Kennungen

Pubchem Sid

488192144

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192144

Kanonisches Lächeln

C1=COC(=C1)C2=NN=C(O2)SCC3=NN=C(O3)C4=CC=C(C=C4)F

IUPAC Name

2-(4-fluorophenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole

InChIKey

RDVSQKOJZWNWAZ-UHFFFAOYSA-N

INCHI

1S/C15H9FN4O3S/c16-10-5-3-9(4-6-10)13-18-17-12(22-13)8-24-15-20-19-14(23-15)11-2-1-7-21-11/h1-7H,8H2

Isomere SMILES

C1=COC(=C1)C2=NN=C(O2)SCC3=NN=C(O3)C4=CC=C(C=C4)F

PubChem CID

2566778

Molekulargewicht

344.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Fluorobenzenes Alkylarylthioethers Aryl fluorides Heteroaromatic compounds Furans 1,3,4-oxadiazoles Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Furan - Heteroaromatic compound - Oxadiazole - Sulfenyl compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 344.300 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 344.038 Da
• Monoisotopic Mass: 344.038 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 416.000
• 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