Ensaculin - ≥95% , CAS No.155773-59-4

CAS: 155773-59-4 Cat. No.: E1343627 Fórmula: C₂₆H₃₂N₂O₅ Peso molecular: 452.5

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Tipo de ação

AGONIST

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: CC1=C(C(=O)OC2=CC(=C(C=C12)OCCCN3CCN(CC3)C4=CC=CC=C4OC)OC)C
• IUPAC Name: 7-methoxy-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3,4-dimethylchromen-2-one
• InChIKey: FQELZLMTAPJJOL-UHFFFAOYSA-N
• INCHI: 1S/C26H32N2O5/c1-18-19(2)26(29)33-23-17-24(31-4)25(16-20(18)23)32-15-7-10-27-11-13-28(14-12-27)21-8-5-6-9-22(21)30-3/h5-6,8-9,16-17H,7,10-15H2,1-4H3
• Peso molecular: 452.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Coumarins and derivatives 1-benzopyrans Aminophenyl ethers Methoxyanilines Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles N-alkylpiperazines Alkyl aryl ethers Pyranones and derivatives Heteroaromatic compounds Lactones Trialkylamines Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Coumarin - 1-benzopyran - Benzopyran - Aminophenyl ether - Methoxyaniline - Anisole - Tertiary aliphatic/aromatic amine - Phenol ether - Methoxybenzene - Phenoxy compound - Aniline or substituted anilines - Dialkylarylamine - N-alkylpiperazine - Pyranone - Alkyl aryl ether - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Ether - Oxacycle - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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

Propriedades químicas e físicas

• Peso molecular: 452.500 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 452.231 Da
• Monoisotopic Mass: 452.231 Da
• Topological Polar Surface Area: 60.500 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 690.000
• 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