7-Bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one - ≥97% , CAS No.122450-96-8

CAS: 122450-96-8 Cat. No.: B190188 Peso molecular: 229.03 Número EC: 849-934-8

GRADE & PURITY ≥97%

Synonyms

BCP17650 | SCHEMBL859012 | A891131 | SY108543 | DTXSID80579704 | 2H-PYRIDO[3,2-B]-1,4-OXAZIN-3(4H)-ONE, 7-BROMO- | 7-bromo-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one | 7-Bromo-2H-pyrido[3,2-b]1,4-oxazin-3(4H)-one | AM803054 | MFCD09834134 | AKOS015909363 | 7-b

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

BCP17650 | SCHEMBL859012 | A891131 | SY108543 | DTXSID80579704 | 2H-PYRIDO[3, 2-B]-1, 4-OXAZIN-3(4H)-ONE, 7-BROMO- | 7-bromo-2H-pyrido[3, 2-b]-1, 4-oxazin-3(4H)-one | 7-Bromo-2H-pyrido[3, 2-b]1, 4-oxazin-3(4H)-one | AM803054 | MFCD09834134 | AKOS015909363 | 7-b

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1C(=O)NC2=C(O1)C=C(C=N2)Br
• IUPAC Name: 7-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one
• InChIKey: ATRMUPKQFDRURR-UHFFFAOYSA-N
• INCHI: 1S/C7H5BrN2O2/c8-4-1-5-7(9-2-4)10-6(11)3-12-5/h1-2H,3H2,(H,9,10,11)
• Isómeros SMILES: C1C(=O)NC2=C(O1)C=C(C=N2)Br
• Peso molecular: 229.03
• Reaxy-Rn: 7920063
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7920063&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyridines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl aryl ether - Aryl bromide - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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 (no humanos)

Pseudomonas aeruginosa (123386 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: 229.030 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 227.953 Da
• Monoisotopic Mass: 227.953 Da
• Topological Polar Surface Area: 51.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 200.000
• 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