WAY-325438 - ≥97% , CAS No.445239-51-0

CAS: 445239-51-0 Cat. No.: W417098 Summenformel: C₁₈H₁₃ClFNO₃ Molekulargewicht: 345.75 PubChem CID: 717221

GRADE & PURITY ≥97%

Synonyms

5-((4-Chlorophenoxy)methyl)-N-(2-fluorophenyl)furan-2-carboxamide5-((4-Chlorophenoxy)methyl)-N-(2-fluorophenyl)furan-2-carboxamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

high inhibition rate against osteoclast formation

Specifications

Synonyme

5-((4-Chlorophenoxy)methyl)-N-(2-fluorophenyl)furan-2-carboxamide5-((4-Chlorophenoxy)methyl)-N-(2-fluorophenyl)furan-2-carboxamide

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥97%

Produkteigenschaften

• ALogP: 4.524
• HBD-Zahl: 1
• Rotationsfähige Bindung: 5

Namen und Kennungen

• Pubchem Sid: 504759969
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759969
• Kanonisches Lächeln: C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Cl)F
• IUPAC Name: 5-[(4-chlorophenoxy)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
• InChIKey: WWOCPTXYPHWAJY-UHFFFAOYSA-N
• INCHI: 1S/C18H13ClFNO3/c19-12-5-7-13(8-6-12)23-11-14-9-10-17(24-14)18(22)21-16-4-2-1-3-15(16)20/h1-10H,11H2,(H,21,22)
• Isomere SMILES: C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Cl)F
• PubChem CID: 717221
• Molekulargewicht: 345.75

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides
        • Ebene5 Aromatic anilides
          • Ebene6 Furanilides
            • Ebene7 2-furanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides - Furanilides
• Direct Parent: 2-furanilides
• Alternative Parents: Phenoxy compounds Phenol ethers 2-heteroaryl carboxamides Furoic acid and derivatives Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-furanilide - 2-heteroaryl carboxamide - Furoic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Furan - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide.
• 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: 345.700 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 345.057 Da
• Monoisotopic Mass: 345.057 Da
• Topological Polar Surface Area: 51.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 417.000
• 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