5-Hydroxyoxindole - ≥95% , CAS No.3416-18-0

CAS: 3416-18-0 Cat. No.: H183835 Fórmula: C₈H₇NO₂ Peso molecular: 149.1 Número EC: 222-309-1

GRADE & PURITY ≥95%

Synonyms

EN300-177590 | SB64276 | Chlorasen | FT-0601082 | 2,3-Dihydro-5-hydroxyindol-2-one | 5-Hydroxy-1,3-dihydro-indol-2-one | 5-hydroxy-1,3-dihydroindol-2-one | H-7065 | 5-hydroxyindolinone | GS-3807 | 5-hydroxyindolin-2-one | 5-Hydroxy-1,3-dihydro-2H-indol-2-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EN300-177590 | SB64276 | Chlorasen | FT-0601082 | 2,3-Dihydro-5-hydroxyindol-2-one | 5-Hydroxy-1,3-dihydro-indol-2-one | 5-hydroxy-1,3-dihydroindol-2-one | H-7065 | 5-hydroxyindolinone | GS-3807 | 5-hydroxyindolin-2-one | 5-Hydroxy-1,3-dihydro-2H-indol-2-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488185350
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185350
• Sonrisas canónicas: C1C2=C(C=CC(=C2)O)NC1=O
• IUPAC Name: 5-hydroxy-1,3-dihydroindol-2-one
• InChIKey: ZGTUSQAQXWSMDW-UHFFFAOYSA-N
• INCHI: 1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1-3,10H,4H2,(H,9,11)
• Isómeros SMILES: C1C2=C(C=CC(=C2)O)NC1=O
• Peso molecular: 149.1
• Reaxy-Rn: 128618
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128618&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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

Objetivos asociados (humanos)

HL-60 (67320 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 149.150 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 149.048 Da
• Monoisotopic Mass: 149.048 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 181.000
• 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

Preguntas frecuentes

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 3416-18-0, the molecular formula is C8H7NO2, and the molecular weight is 149.1 g/mol. InChIKey ZGTUSQAQXWSMDW-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.