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

CAS: 525607-71-0 Cat. No.: W418303 Formula: C₁₁H₈BrN₅ Peso molecolare: 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

Panoramica

AMPK activators

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

• ALogP: 2.603
• Conteggio HBD: 2
• Legame rotabile: 2

Nomi e identificatori

• Pubchem Sid: 488192077
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192077
• Sorrisi canonici: 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)
• Isomeri SMILES: C1=CC(=CC=C1NC2=NC=NC3=C2NC=N3)Br
• PubChem CID: 2155028
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 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