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

CAS: 438471-96-6 Cat. No.: W417112 Fórmula: C₂₀H₂₅NO₄ Peso molecular: 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

Visão geral

11β-HSD1 inhibitor

Specifications

Sinónimos

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

Especificações e pureza

≥95%

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

≥95%

Propriedades do produto

ALogP

3.785

Ligação rotativa

6

Nomes e identificadores

Pubchem Sid

488191663

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191663

Sorrisos canónicos

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

SMILES isoméricas

CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCC(CC3)C

PubChem CID

892444

Peso molecular

343.42

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10
• Peso molecular: 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