Propargyl-PEG3-Boc - ≥97% , CAS No.1374658-84-0

CAS: 1374658-84-0 Cat. No.: P412748 Formule: C₁₄H₂₄O₅ Poids moléculaire: 272.34 PubChem CID: 60146216

GRADE & PURITY ≥97%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

227,228,229

Vue d’ensemble

Information

Propargyl-PEG3-Boc is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

Specifications

Spécifications et pureté

≥97%

Mécanismes biochimiques et physiologiques

Propargyl-PEG3-Boc is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Sourires canoniques

CC(C)(C)OC(=O)CCOCCOCCOCC#C

IUPAC Name

tert-butyl 3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanoate

InChIKey

JCKIGUAOHLRKLH-UHFFFAOYSA-N

INCHI

1S/C14H24O5/c1-5-7-16-9-11-18-12-10-17-8-6-13(15)19-14(2,3)4/h1H,6-12H2,2-4H3

Isomères SMILES

CC(C)(C)OC(=O)CCOCCOCCOCC#C

PubChem CID

60146216

Poids moléculaire

272.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Haloacetylenes and derivatives Dialkyl ethers Acetylides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Haloacetylene or derivatives - Acetylide - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro
• Poids moléculaire: 272.340 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 272.162 Da
• Monoisotopic Mass: 272.162 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 284.000
• 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