Lenvatinib Impurity g - ≥97% , CAS No.417714-14-8

CAS: 417714-14-8 Cat. No.: L941615 Fórmula: C₂₁H₂₀N₄O₄ Peso molecular: 392.4 PubChem CID: 11581928

CALIDAD & PUREZA ≥97%

Storage

Room temperature

Especificaciones

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC=C(C=C3)NC(=O)NC4CC4

IUPAC Name

4-[4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide

InChIKey

VBISVMLKCDTQGF-UHFFFAOYSA-N

INCHI

1S/C21H20N4O4/c1-28-19-11-17-15(10-16(19)20(22)26)18(8-9-23-17)29-14-6-4-13(5-7-14)25-21(27)24-12-2-3-12/h4-12H,2-3H2,1H3,(H2,22,26)(H2,24,25,27)

Isómeros SMILES

COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC=C(C=C3)NC(=O)NC4CC4

PubChem CID

11581928

Peso molecular

392.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Quinoline carboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinoline carboxamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxamides
• Alternative Parents: Diarylethers N-phenylureas Phenoxy compounds Anisoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Ureas Primary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-6-carboxamide - Diaryl ether - N-phenylurea - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Carboxamide group - Urea - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinoline carboxamides. These are quinolines in which the quinoline ring system is substituted by one or more carboxamide groups.
• 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

Propiedades químicas y físicas

• Peso molecular: 392.400 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 392.148 Da
• Monoisotopic Mass: 392.148 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 591.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 417714-14-8, the molecular formula is C21H20N4O4, and the molecular weight is 392.4 g/mol. InChIKey VBISVMLKCDTQGF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.