Azido-PEG5-Boc , CAS No.1448451-72-6

CAS: 1448451-72-6 Cat. No.: A412739 Molecular Weight: 377.43

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

Information

Azido-PEG5-Boc is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

Specifications

Biochemical and Physiological Mechanisms

Azido-PEG5-Boc is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)COCCOCCOCCOCCOCCN=[N+]=[N-]
• IUPAC Name: tert-butyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetate
• InChIKey: OUBLZQPJPYRIKU-UHFFFAOYSA-N
• INCHI: 1S/C16H31N3O7/c1-16(2,3)26-15(20)14-25-13-12-24-11-10-23-9-8-22-7-6-21-5-4-18-19-17/h4-14H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)COCCOCCOCCOCCOCCN=[N+]=[N-]
• Molecular Weight: 377.43
• Reaxy-Rn: 23811246
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23811246&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Class Allyl-type 1,3-dipolar organic compounds
      • Subclass Azo imides

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Class: Allyl-type 1,3-dipolar organic compounds
• Subclass: Azo imides
• Intermediate Tree Nodes: Not available
• Direct Parent: Azo imides
• Alternative Parents: Carboxylic acid esters Azo compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Azo compound - Azo imide - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as azo imides. These are n-Imides of azo compounds, analogous to azoxy compounds, having a delocalized structure.
• 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

• Solubility: Solubility (25°C) In vitro
• Molecular Weight: 377.430 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 19
• Exact Mass: 377.216 Da
• Monoisotopic Mass: 377.216 Da
• Topological Polar Surface Area: 86.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 396.000
• 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