Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2，3-b]pyridine-3-carboxylate - ≥98% , CAS No.68301-99-5

CAS: 68301-99-5 Cat. No.: E727151 Molecular Weight: 326.35

GRADE & PURITY ≥98%

Synonyms

Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate | Ethyl 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate | Amlexanox ethyl ester

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2, 3-b]pyridine-3-carboxylate | Ethyl 2-amino-5-oxo-7-propan-2-ylchromeno[2, 3-b]pyridine-3-carboxylate | Amlexanox ethyl ester

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1=C(N=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(C)C)N
• IUPAC Name: ethyl 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate
• InChIKey: PFDJAEKKGJFCNL-UHFFFAOYSA-N
• INCHI: 1S/C18H18N2O4/c1-4-23-18(22)13-8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)20-16(13)19/h5-9H,4H2,1-3H3,(H2,19,20)
• Isomeric SMILES: CCOC(=O)C1=C(N=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(C)C)N
• Alternate CAS: 68301-99-5
• Molecular Weight: 326.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Chromones
          • Level6 Chromeno[2,3-b]pyridine-5-ones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Chromones
• Direct Parent: Chromeno[2,3-b]pyridine-5-ones
• Alternative Parents: Chromenopyridines Pyranopyridines Pyridinecarboxylic acids Cumenes Pyranones and derivatives Aminopyridines and derivatives Primary aromatic amines Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromeno[2,3-b]pyridine-5-one - Chromenopyridine - Pyranopyridine - Cumene - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aminopyridine - Pyranone - Primary aromatic amine - Pyran - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Primary amine - Organic nitrogen compound - Amine - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as chromeno[2,3-b]pyridine-5-ones. These are compounds containing a Chromeno[2,3-b]pyridine moiety that carries an oxo group at the 5-position.
• 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 326.300 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 326.127 Da
• Monoisotopic Mass: 326.127 Da
• Topological Polar Surface Area: 91.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 495.000
• 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