Tiprenolol - ≥95% , CAS No.26481-51-6

CAS: 26481-51-6 Cat. No.: T1357211 Formule: C₁₃H₂₁NO₂S Poids moléculaire: 255.38 Numéro CE: 963-581-8

QUALITÉ & PURETÉ ≥95%

Storage

Room temperature

Shipped In

Normal

Spécifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Type d'action

ANTAGONIST

Pureté

≥95%

Noms et identifiants

Sourires canoniques

CC(C)NCC(COC1=CC=CC=C1SC)O

IUPAC Name

1-(2-methylsulfanylphenoxy)-3-(propan-2-ylamino)propan-2-ol

InChIKey

CSUNLSYSEQIDMO-UHFFFAOYSA-N

INCHI

1S/C13H21NO2S/c1-10(2)14-8-11(15)9-16-12-6-4-5-7-13(12)17-3/h4-7,10-11,14-15H,8-9H2,1-3H3

Poids moléculaire

255.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Thiophenol ethers Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers Secondary alcohols 1,2-aminoalcohols Sulfenyl compounds Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Aryl thioether - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Ether - Sulfenyl compound - Secondary amine - Thioether - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 255.380 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 255.129 Da
• Monoisotopic Mass: 255.129 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 202.000
• 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