Felezonexor - ≥98% , CAS No.1076235-04-5

CAS: 1076235-04-5 Cat. No.: F1308944 EC Number: 110-097-2 PubChem CID: 25103750

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=C(C(=O)N(C1=O)NC2=NC(=C(C=C2)C(F)(F)F)Cl)COCCC(C)(C)C
• IUPAC Name: 1-[[6-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-(3,3-dimethylbutoxymethyl)-4-methylpyrrole-2,5-dione
• InChIKey: CMASLSTVVOYJQY-UHFFFAOYSA-N
• INCHI: 1S/C18H21ClF3N3O3/c1-10-11(9-28-8-7-17(2,3)4)16(27)25(15(10)26)24-13-6-5-12(14(19)23-13)18(20,21)22/h5-6H,7-9H2,1-4H3,(H,23,24)
• Isomeric SMILES: CC1=C(C(=O)N(C1=O)NC2=NC(=C(C=C2)C(F)(F)F)Cl)COCCC(C)(C)C
• Alternate CAS: 1076235-04-5
• PubChem CID: 25103750
• MeSH Entry Terms: CBS 9106;CBS-9106;CBS9106

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Maleimides Aryl chlorides Imidolactams Pyrrolines Dicarboximides Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds Organofluorides Organonitrogen compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Maleimide - Aryl chloride - Aryl halide - Imidolactam - Dicarboximide - Heteroaromatic compound - Pyrroline - Carboxylic acid hydrazide - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• 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: 419.800 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 419.122 Da
• Monoisotopic Mass: 419.122 Da
• Topological Polar Surface Area: 71.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 646.000
• 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