WAY-297655 - ≥95% , CAS No.303792-66-7

CAS: 303792-66-7 Cat. No.: W416784 Summenformel: C₂₀H₁₈N₂O₂S₂ Molekulargewicht: 382.5 PubChem CID: 1356837

GRADE & PURITY ≥95%

Synonyms

(Z)-4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-phenylbutanamide

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

antiinflammatory activity

Specifications

Synonyme

(Z)-4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-phenylbutanamide

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Produkteigenschaften

• ALogP: 4.253
• HBD-Zahl: 1
• Rotationsfähige Bindung: 6

Namen und Kennungen

• Pubchem Sid: 488191799
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191799
• Kanonisches Lächeln: C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3
• IUPAC Name: 4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylbutanamide
• InChIKey: CLVUXPMGRSDELA-VKAVYKQESA-N
• INCHI: 1S/C20H18N2O2S2/c23-18(21-16-10-5-2-6-11-16)12-7-13-22-19(24)17(26-20(22)25)14-15-8-3-1-4-9-15/h1-6,8-11,14H,7,12-13H2,(H,21,23)/b17-14-
• Isomere SMILES: C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3
• PubChem CID: 1356837
• Molekulargewicht: 382.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Thiazolidinethiones Fatty amides Cyclic dithiocarbamic acid esters Secondary carboxylic acid amides Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Anilide - N-arylamide - Fatty amide - Thiazolidinethione - Fatty acyl - Cyclic dithiocarbamic acid ester - Thiazolidine - Dithiocarbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 382.500 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 382.081 Da
• Monoisotopic Mass: 382.081 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 564.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1