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

CAS: 445231-36-7 Cat. No.: W417088 Summenformel: C₁₉H₁₆ClNO₄ Molekulargewicht: 357.79 PubChem CID: 1091770

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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

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

4.303

HBD-Zahl

1

Rotationsfähige Bindung

6

Namen und Kennungen

Pubchem Sid

488191716

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191716

Kanonisches Lächeln

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)

Isomere SMILES

COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)NC3=CC=CC=C3Cl

PubChem CID

1091770

Molekulargewicht

357.79

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: 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
• 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: 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