WAY-239593 - ≥98% , CAS No.409357-43-3

CAS: 409357-43-3 Cat. No.: W416758 Fórmula: C₁₇H₂₈N₂O₄S Peso molecular: 356.48 PubChem CID: 1167278

GRADE & PURITY ≥98%

Synonyms

5-isopropyl-2-methoxy-4-methyl-N-(2-morpholinoethyl)benzenesulfonamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

inhibit synaptic hyperexcitability

Specifications

Sinónimos

5-isopropyl-2-methoxy-4-methyl-N-(2-morpholinoethyl)benzenesulfonamide

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

• ALogP: 2.231
• Contagem HBD: 1
• Ligação rotativa: 7

Nomes e identificadores

• Pubchem Sid: 488191729
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191729
• Sorrisos canónicos: CC1=CC(=C(C=C1C(C)C)S(=O)(=O)NCCN2CCOCC2)OC
• IUPAC Name: 2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide
• InChIKey: DUNGHTBUPZADNI-UHFFFAOYSA-N
• INCHI: 1S/C17H28N2O4S/c1-13(2)15-12-17(16(22-4)11-14(15)3)24(20,21)18-5-6-19-7-9-23-10-8-19/h11-13,18H,5-10H2,1-4H3
• SMILES isoméricas: CC1=CC(=C(C=C1C(C)C)S(=O)(=O)NCCN2CCOCC2)OC
• PubChem CID: 1167278
• Peso molecular: 356.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Tosyl compounds
          • Level6 P-toluenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Tosyl compounds
• Direct Parent: P-toluenesulfonamides
• Alternative Parents: Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Cumenes Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Morpholines Organosulfonamides Aminosulfonyl compounds Trialkylamines Dialkyl ethers Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: P-toluenesulfonamide - Benzenesulfonamide - Cumene - Benzenesulfonyl group - Phenylpropane - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Morpholine - Oxazinane - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organopnictogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide 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

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10
• Peso molecular: 356.500 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 356.177 Da
• Monoisotopic Mass: 356.177 Da
• Topological Polar Surface Area: 76.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 471.000
• 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