RUVBL1/2 ATPase-IN-1 - ≥99% , CAS No.423128-55-6

CAS: 423128-55-6 Cat. No.: R946423 Molecular Weight: 507.500

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=CC=C(C=C1)CC2=C(N3C(=C(C=N3)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)N=C2C)C
• IUPAC Name: [5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
• InChIKey: DWMRUZCWNNNCJM-UHFFFAOYSA-N
• INCHI: 1S/C28H28F3N5O/c1-18-7-9-21(10-8-18)15-24-19(2)33-26-25(17-32-36(26)20(24)3)27(37)35-13-11-34(12-14-35)23-6-4-5-22(16-23)28(29,30)31/h4-10,16-17H,11-15H2,1-3H3
• Molecular Weight: 507.500

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Trifluoromethylbenzenes Pyrazolo[1,5-a]pyrimidines Aniline and substituted anilines Dialkylarylamines Pyrazole-4-carboxamides Toluenes Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Vinylogous amides Amino acids and derivatives Azacyclic compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Trifluoromethylbenzene - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Pyrazole-4-carboxamide - Toluene - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Pyrazole - Tertiary carboxylic acid amide - Vinylogous amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Alkyl fluoride - Organic oxygen compound - Alkyl halide - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 507.500 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 507.225 Da
• Monoisotopic Mass: 507.225 Da
• Topological Polar Surface Area: 53.700 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 780.000
• 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