Propargyl-PEG4-Boc , CAS No.1355197-66-8

CAS: 1355197-66-8 Cat. No.: P412749 Formula: C₁₆H₂₈O₆ Molecular Weight: 316.39 PubChem CID: 77078489

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

Information

Propargyl-PEG4-Boc is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

Specifications

Biochemical and Physiological Mechanisms

Propargyl-PEG4-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)CCOCCOCCOCCOCC#C
• IUPAC Name: tert-butyl 3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoate
• InChIKey: BEQLPTKRFULADF-UHFFFAOYSA-N
• INCHI: 1S/C16H28O6/c1-5-7-18-9-11-20-13-14-21-12-10-19-8-6-15(17)22-16(2,3)4/h1H,6-14H2,2-4H3
• Isomeric SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCC#C
• PubChem CID: 77078489
• Molecular Weight: 316.39

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Acetylide - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro
• Molecular Weight: 316.390 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 15
• Exact Mass: 316.189 Da
• Monoisotopic Mass: 316.189 Da
• Topological Polar Surface Area: 63.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 325.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1355197-66-8, the molecular formula is C16H28O6, and the molecular weight is 316.39 g/mol. InChIKey BEQLPTKRFULADF-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.