WAY-325472 - ≥95% , CAS No.438471-96-6

CAS: 438471-96-6 Cat. No.: W417112 Summenformel: C₂₀H₂₅NO₄ Molekulargewicht: 343.42 PubChem CID: 892444

GRADE & PURITY ≥95%

Synonyms

[5-[(4-ethoxyphenoxy)methyl]-2-furanyl](4-methyl-1-piperidinyl)-Methanone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

11β-HSD1 inhibitor

Specifications

Synonyme

[5-[(4-ethoxyphenoxy)methyl]-2-furanyl](4-methyl-1-piperidinyl)-Methanone

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥95%

Produkteigenschaften

• ALogP: 3.785
• Rotationsfähige Bindung: 6

Namen und Kennungen

• Pubchem Sid: 488191663
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191663
• Kanonisches Lächeln: CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCC(CC3)C
• IUPAC Name: [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone
• InChIKey: BFQYFMATBVTFHP-UHFFFAOYSA-N
• INCHI: 1S/C20H25NO4/c1-3-23-16-4-6-17(7-5-16)24-14-18-8-9-19(25-18)20(22)21-12-10-15(2)11-13-21/h4-9,15H,3,10-14H2,1-2H3
• Isomere SMILES: CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCC(CC3)C
• PubChem CID: 892444
• Molekulargewicht: 343.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines
      • Subclass N-acylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: N-acylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acylpiperidines
• Alternative Parents: Phenoxy compounds Phenol ethers Furoic acid and derivatives 2-heteroaryl carboxamides Alkyl aryl ethers Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-piperidine - 2-heteroaryl carboxamide - Furoic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Furan - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-acylpiperidines. These are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of a piperidine.
• 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: 343.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 343.178 Da
• Monoisotopic Mass: 343.178 Da
• Topological Polar Surface Area: 51.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 414.000
• 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