WAY-273429 - ≥98% , CAS No.525607-71-0

CAS: 525607-71-0 Cat. No.: W418303 Fórmula: C₁₁H₈BrN₅ Peso molecular: 290.12 PubChem CID: 2155028

GRADE & PURITY ≥98%

Synonyms

N-(4-bromophenyl)-7H-purin-6-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

AMPK activators

Specifications

Sinónimos

N-(4-bromophenyl)-7H-purin-6-amine

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

ALogP

2.603

Contagem HBD

2

Ligação rotativa

2

Nomes e identificadores

Pubchem Sid

488192077

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192077

Sorrisos canónicos

C1=CC(=CC=C1NC2=NC=NC3=C2NC=N3)Br

IUPAC Name

N-(4-bromophenyl)-7H-purin-6-amine

InChIKey

LWCIEXKSKVSIHY-UHFFFAOYSA-N

INCHI

1S/C11H8BrN5/c12-7-1-3-8(4-2-7)17-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H2,13,14,15,16,17)

SMILES isoméricas

C1=CC(=CC=C1NC2=NC=NC3=C2NC=N3)Br

PubChem CID

2155028

Peso molecular

290.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aniline and substituted anilines Bromobenzenes Aminopyrimidines and derivatives Imidolactams Aryl bromides Imidazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aniline or substituted anilines - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Secondary amine - Azacycle - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole 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: 290.120 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 288.996 Da
• Monoisotopic Mass: 288.996 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 256.000
• 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