WAY-235142 - ≥98% , CAS No.380550-28-7

CAS: 380550-28-7 Cat. No.: W418446 Fórmula: C₁₇H₁₈N₂O Peso molecular: 266.34 PubChem CID: 2879461

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

MtSk inhibitors

Specifications

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

3.529

Contagem HBD

1

Ligação rotativa

4

Nomes e identificadores

Pubchem Sid

504762243

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762243

Sorrisos canónicos

CC(C1=NC2=CC=CC=C2N1CCC3=CC=CC=C3)O

IUPAC Name

1-[1-(2-phenylethyl)benzimidazol-2-yl]ethanol

InChIKey

HOJAOELPHPNGOZ-UHFFFAOYSA-N

INCHI

1S/C17H18N2O/c1-13(20)17-18-15-9-5-6-10-16(15)19(17)12-11-14-7-3-2-4-8-14/h2-10,13,20H,11-12H2,1H3

SMILES isoméricas

CC(C1=NC2=CC=CC=C2N1CCC3=CC=CC=C3)O

PubChem CID

2879461

Peso molecular

266.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Azacycle - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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: 266.340 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 266.142 Da
• Monoisotopic Mass: 266.142 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 303.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1