GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

STL146621 | Biphenyl-2,2'-dicarboxylic anhydride | dibenzo[c,e]oxepine-5,7-dione | MFCD00004993 | NSC 116225 | Dibenz(c,e)oxepin-5,7-dione | Diphenic anhydride | 1-(1H-Indol-3-yl)-2-propanamine | 9-Oxatricyclo[9.4.0.0,2,7]pentadeca-1(15),2,4,6,11,13-hexae

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

STL146621 | Biphenyl-2, 2'-dicarboxylic anhydride | dibenzo[c, e]oxepine-5, 7-dione | MFCD00004993 | NSC 116225 | Dibenz(c, e)oxepin-5, 7-dione | Diphenic anhydride | 1-(1H-Indol-3-yl)-2-propanamine | 9-Oxatricyclo[9.4.0.0, 2, 7]pentadeca-1(15), 2, 4, 6, 11, 13-hexae

Especificaciones y pureza

≥98%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%(HPLC)(T)

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)OC2=O
• IUPAC Name: benzo[d][2]benzoxepine-5,7-dione
• InChIKey: RTSGJTANVBJFFJ-UHFFFAOYSA-N
• INCHI: 1S/C14H8O3/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(16)17-13/h1-8H
• Isómeros SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)OC2=O
• Peso molecular: 224.22
• Beilstein: 17526
• Reaxy-Rn: 171255
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=171255&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenoids
• Alternative Parents: Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
• 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)

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 230 °C
• Peso molecular: 224.210 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 224.047 Da
• Monoisotopic Mass: 224.047 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 304.000
• 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