PBT-1033 - Moligand™, ≥97% , CAS No.747408-78-2

CAS: 747408-78-2 Cat. No.: P177352 Fórmula: C₁₂H₁₂Cl₂N₂O Peso molecular: 271.14 PubChem CID: 10016012

GRAU & PUREZA Moligand™, ≥97%

Synonyms

P17129 | Q7118446 | BCP19805 | DB05565 | 5,7-Dichloro-2-((dimethylamino)methyl)quinolin-8-ol | 5,7-Dichloro-2-[(dimethylamino)methyl]-8-quinolinol | PB 1033 | EN300-305718 | PBT 2 | PBT 2 (anti-Alzheimer agent) | AC-3685 | PBT 1033 | HY-105321 | AS-53797

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

P17129 | Q7118446 | BCP19805 | DB05565 | 5,7-Dichloro-2-((dimethylamino)methyl)quinolin-8-ol | 5,7-Dichloro-2-[(dimethylamino)methyl]-8-quinolinol | PB 1033 | EN300-305718 | PBT 2 | PBT 2 (anti-Alzheimer agent) | AC-3685 | PBT 1033 | HY-105321 | AS-53797

Especificações e pureza

Moligand™, ≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Moligand™

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

CN(C)CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl

IUPAC Name

5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol

InChIKey

YZPOQCQXOSEMAZ-UHFFFAOYSA-N

INCHI

1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3

SMILES isoméricas

CN(C)CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl

CAS alternativo

747408-78-2,1123760-88-2

PubChem CID

10016012

Termos de entrada MeSH

5,7-dichloro-2-((dimethylamino)methyl)-8-hydroxyquinoline;PBT2 compound

Peso molecular

271.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloroquinolines
• Alternative Parents: 8-hydroxyquinolines Halophenols 2-pyridylmethylamines Aralkylamines Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - 8-hydroxyquinoline - 2-pyridylmethylamine - 4-halophenol - 2-halophenol - Aralkylamine - Phenol - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 271.140 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 270.033 Da
• Monoisotopic Mass: 270.033 Da
• Topological Polar Surface Area: 36.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 265.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 747408-78-2, the molecular formula is C12H12Cl2N2O, and the molecular weight is 271.14 g/mol. InChIKey YZPOQCQXOSEMAZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.