Hydroxy-PEG1-t-butyl ester - ≥97% , CAS No.671802-00-9

CAS: 671802-00-9 Cat. No.: H336182 Molecular Weight: 190.24 EC Number: 817-979-2

GRADE & PURITY ≥97%

Synonyms

HO-PEG1-CH2CH2COOtBu | SCHEMBL898476 | Tert-butyl 3-(2-hydroxyethoxy)propanoate | AS-18988 | BP-20597 | WBB80200 | A915812 | AMY37947 | FT-0715716 | HO-PEG1-t-butyl ester | Hydroxy-PEG1-t-butyl ester | MFCD22056310 | Tert-butyl3-(2-hydroxyethoxy)propanoat

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Hydroxy-PEG1-(CH2)2-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs.
Application：
Applicated in medical research, drug-release, nanotechnology and new materials research, cell culture. In the study of ligand, polypeptide synthesis support, a graft polymer compounds, new materials, and polyethylene glycol-modified functional coatings and other aspects of the active compound.

Specifications

Synonyms

HO-PEG1-CH2CH2COOtBu | SCHEMBL898476 | Tert-butyl 3-(2-hydroxyethoxy)propanoate | AS-18988 | BP-20597 | WBB80200 | A915812 | AMY37947 | FT-0715716 | HO-PEG1-t-butyl ester | Hydroxy-PEG1-t-butyl ester | MFCD22056310 | Tert-butyl3-(2-hydroxyethoxy)propanoat

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)CCOCCO
• IUPAC Name: tert-butyl 3-(2-hydroxyethoxy)propanoate
• InChIKey: ACWLDITVZGWIKA-UHFFFAOYSA-N
• INCHI: 1S/C9H18O4/c1-9(2,3)13-8(11)4-6-12-7-5-10/h10H,4-7H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)CCOCCO
• Molecular Weight: 190.24
• Reaxy-Rn: 9759497
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9759497&ln=

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 Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - 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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 190.240 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 190.121 Da
• Monoisotopic Mass: 190.121 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 148.000
• 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