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

CAS: 793729-44-9 Cat. No.: W417748 Formula: C₁₅H₉FN₄O₃S Peso molecolare: 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

Panoramica

antitubercular activity

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

ALogP

2.889

Legame rotabile

5

Nomi e identificatori

Pubchem Sid

488192144

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

PubChem CID

2566778

Peso molecolare

344.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 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