Podilfen - ≥95% , CAS No.13409-53-5

CAS: 13409-53-5 Cat. No.: P1326015 Formula: C₁₈H₂₃N₃O₂S Peso molecolare: 345.46 PubChem CID: 3050403

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Tipo di azione

INHIBITOR

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CC1=CSC(=N1)N2CCN(CC2)C(C)CC3=CC4=C(C=C3)OCO4
• IUPAC Name: 2-[4-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperazin-1-yl]-4-methyl-1,3-thiazole
• InChIKey: ZDFJACWXFWFFKY-UHFFFAOYSA-N
• INCHI: 1S/C18H23N3O2S/c1-13-11-24-18(19-13)21-7-5-20(6-8-21)14(2)9-15-3-4-16-17(10-15)23-12-22-16/h3-4,10-11,14H,5-9,12H2,1-2H3
• Isomeri SMILES: CC1=CSC(=N1)N2CCN(CC2)C(C)CC3=CC4=C(C=C3)OCO4
• PubChem CID: 3050403
• Peso molecolare: 345.46

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: N-arylpiperazines
• Alternative Parents: Benzodioxoles Dialkylarylamines N-alkylpiperazines Aralkylamines 2,4-disubstituted thiazoles Benzenoids 2-amino-1,3-thiazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Benzodioxole - Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - Aralkylamine - N-alkylpiperazine - 1,3-thiazol-2-amine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Tertiary amine - Tertiary aliphatic amine - Acetal - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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

Proprietà chimiche e fisiche

• Peso molecolare: 345.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 345.151 Da
• Monoisotopic Mass: 345.151 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 419.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 13409-53-5, the molecular formula is C18H23N3O2S, and the molecular weight is 345.46 g/mol. InChIKey ZDFJACWXFWFFKY-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.