1-Acetylisatin - ≥97% , CAS No.574-17-4

CAS: 574-17-4 Cat. No.: A151084 Formule: C₁₀H₇NO₃ Poids moléculaire: 189.17 Numéro CE: 209-368-9

QUALITÉ & PURETÉ ≥97%

Synonyms

1-Acetyl-1H-indole-2,3-dione | Acetylisatin | n-acetyl isatin | 5-21-10-00254 (Beilstein Handbook Reference) | EN300-01041 | EINECS 209-368-9 | BRN 0144609 | N-Acetylisatin1 | AI3-61836 | C02172 | 1-Acetylisatin | CHEBI:16050 | BCP20132 | NSC 2761 | AS-12

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

1-Acetyl-1H-indole-2,3-dione | Acetylisatin | n-acetyl isatin | 5-21-10-00254 (Beilstein Handbook Reference) | EN300-01041 | EINECS 209-368-9 | BRN 0144609 | N-Acetylisatin1 | AI3-61836 | C02172 | 1-Acetylisatin | CHEBI:16050 | BCP20132 | NSC 2761 | AS-12

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488181307

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181307

Sourires canoniques

CC(=O)N1C2=CC=CC=C2C(=O)C1=O

IUPAC Name

1-acetylindole-2,3-dione

InChIKey

LPGDEHBASRKTDG-UHFFFAOYSA-N

INCHI

1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3

Isomères SMILES

CC(=O)N1C2=CC=CC=C2C(=O)C1=O

RTECS

NL7873800

Poids moléculaire

189.17

Reaxy-Rn

144609

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=144609&ln=

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 ketones N-substituted carboxylic acid imides Benzenoids Dicarboximides Acetamides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Aryl ketone - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Dicarboximide - Acetamide - Ketone - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: 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: a small molecule

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

Cibles associées (humaines)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

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

CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 143 °C
• Poids moléculaire: 189.170 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 189.043 Da
• Monoisotopic Mass: 189.043 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 310.000
• 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

Foire aux questions

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

The CAS Number is 574-17-4, the molecular formula is C10H7NO3, and the molecular weight is 189.17 g/mol. InChIKey LPGDEHBASRKTDG-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥97% 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.