WAY-325398 - ≥98% , CAS No.445231-36-7

CAS: 445231-36-7 Cat. No.: W417088 Formula: C₁₉H₁₆ClNO₄ Peso molecolare: 357.79 PubChem CID: 1091770

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Intermediate in the biosynthesis of aromatic amino acids in many species.

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: 4.303
• Conteggio HBD: 1
• Legame rotabile: 6

Nomi e identificatori

• Pubchem Sid: 488191716
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191716
• Sorrisi canonici: COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)NC3=CC=CC=C3Cl
• IUPAC Name: N-(2-chlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
• InChIKey: GXLMEZKHDODQMV-UHFFFAOYSA-N
• INCHI: 1S/C19H16ClNO4/c1-23-16-8-4-5-9-17(16)24-12-13-10-11-18(25-13)19(22)21-15-7-3-2-6-14(15)20/h2-11H,12H2,1H3,(H,21,22)
• Isomeri SMILES: COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)NC3=CC=CC=C3Cl
• PubChem CID: 1091770
• Peso molecolare: 357.79

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: 2-heteroaryl carboxamides Phenoxy compounds Anisoles Furoic acid and derivatives Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-furanilide - 2-heteroaryl carboxamide - Anisole - Furoic acid or derivatives - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Furan - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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: 357.800 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 357.077 Da
• Monoisotopic Mass: 357.077 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 436.000
• 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