Foslinanib Disodium - ≥98% , CAS No.1256037-62-3

CAS: 1256037-62-3 Cat. No.: F1275641 Molecular Weight: 409.21 PubChem CID: 49840583

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=C(C2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)F)OP(=O)([O-])[O-].[Na+].[Na+]
• IUPAC Name: disodium;[2-(3-fluorophenyl)-6-methoxy-4-oxo-1H-quinolin-5-yl] phosphate
• InChIKey: TWMCXXQLLQDSTN-UHFFFAOYSA-L
• INCHI: 1S/C16H13FNO6P.2Na/c1-23-14-6-5-11-15(16(14)24-25(20,21)22)13(19)8-12(18-11)9-3-2-4-10(17)7-9;;/h2-8H,1H3,(H,18,19)(H2,20,21,22);;/q;2*+1/p-2
• Isomeric SMILES: COC1=C(C2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)F)OP(=O)([O-])[O-].[Na+].[Na+]
• PubChem CID: 49840583
• Molecular Weight: 409.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenylpyridines Hydroquinolones Aryl phosphomonoesters Hydroquinolines Anisoles Alkyl aryl ethers Fluorobenzenes Aryl fluorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organic metal halides Organic oxides Organonitrogen compounds Organic sodium salts Organic zwitterions Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 2-phenylpyridine - Dihydroquinolone - Dihydroquinoline - Aryl phosphate - Aryl phosphomonoester - Phenol ether - Anisole - Fluorobenzene - Halobenzene - Alkyl aryl ether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organic phosphoric acid derivative - Phosphoric acid ester - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Organic alkali metal salt - Ether - Organic metal halide - Azacycle - Organic sodium salt - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic zwitterion - Organooxygen compound - Organic salt - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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

• Molecular Weight: 409.210 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 409.01 Da
• Monoisotopic Mass: 409.01 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 582.000
• 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: 3

XLogP3