WAY-607654 - ≥95% , CAS No.356080-86-9

CAS: 356080-86-9 Cat. No.: W417632 Fórmula: C₂₃H₂₀N₂O₃ Peso molecular: 372.42 PubChem CID: 2930391

GRADE & PURITY ≥95%

Synonyms

3-hydroxy-3-[2-oxo-2-(3-pyridinyl)ethyl]-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

useful for the treatment of degenerative diseases

Specifications

Sinónimos

3-hydroxy-3-[2-oxo-2-(3-pyridinyl)ethyl]-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

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: 2.594
• Ligação rotativa: 6

Nomes e identificadores

• Pubchem Sid: 488194124
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194124
• Sorrisos canónicos: C1=CC=C(C=C1)CCN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CN=CC=C4)O
• IUPAC Name: 3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1-(2-phenylethyl)indol-2-one
• InChIKey: PKVCMYPBKGTNBM-UHFFFAOYSA-N
• INCHI: 1S/C23H20N2O3/c26-21(18-9-6-13-24-16-18)15-23(28)19-10-4-5-11-20(19)25(22(23)27)14-12-17-7-2-1-3-8-17/h1-11,13,16,28H,12,14-15H2
• SMILES isoméricas: C1=CC=C(C=C1)CCN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CN=CC=C4)O
• PubChem CID: 2930391
• Peso molecular: 372.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Aryl alkyl ketones Pyridines and derivatives Beta-hydroxy ketones Benzene and substituted derivatives Tertiary carboxylic acid amides Tertiary alcohols Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Beta-hydroxy ketone - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary alcohol - Carboxamide group - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
• 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: 372.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 372.147 Da
• Monoisotopic Mass: 372.147 Da
• Topological Polar Surface Area: 70.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 574.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 356080-86-9, the molecular formula is C23H20N2O3, and the molecular weight is 372.42 g/mol. InChIKey PKVCMYPBKGTNBM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.