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

CAS: 445239-51-0 Cat. No.: W417098 Formula: C₁₈H₁₃ClFNO₃ Peso molecolare: 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

Panoramica

high inhibition rate against osteoclast formation

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

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

≥97%

Proprietà del prodotto

• ALogP: 4.524
• Conteggio HBD: 1
• Legame rotabile: 5

Nomi e identificatori

• Pubchem Sid: 504759969
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759969
• Sorrisi canonici: 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)
• Isomeri SMILES: C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Cl)F
• PubChem CID: 717221
• Peso molecolare: 345.75

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Furanilides
            • Level7 2-furanilides

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

Proprietà chimiche e fisiche

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