Bromo-PEG8-t-butyl ester - ≥98% , CAS No.1623792-00-6

CAS: 1623792-00-6 Cat. No.: B596657 Fórmula: C₂₃H₄₅BrO₁₀ Peso molecular: 561.5 PubChem CID: 77078295

GRAU & PUREZA ≥98%

Synonyms

1,1-Dimethylethyl 27-bromo-4,7,10,13,16,19,22,25-octaoxaheptacosanoate | tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate | Bromo-PEG8-t-butyl ester | SCHEMBL23100625 | Br-PEG8-COOtBu | DTXSID001

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

Bromo-PEG8-t-butyl ester is a PEG derivative containing a bromide group and a t-butyl protected carboxyl group. The hydrophilic PEG spacer increases solubility in aqueous media. The bromide (Br) is a very good leaving group for nucleophilic substitution reactions. The t-butyl protected carboxyl group can be deprotected under acidic conditions.

Especificações

Sinónimos

1,1-Dimethylethyl 27-bromo-4,7,10,13,16,19,22,25-octaoxaheptacosanoate | tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate | Bromo-PEG8-t-butyl ester | SCHEMBL23100625 | Br-PEG8-COOtBu | DTXSID001

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Bromo-PEG8-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs.

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528772981

Sorrisos canónicos

CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCBr

IUPAC Name

tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

InChIKey

DXYYTZDPNRZUDL-UHFFFAOYSA-N

INCHI

1S/C23H45BrO10/c1-23(2,3)34-22(25)4-6-26-8-10-28-12-14-30-16-18-32-20-21-33-19-17-31-15-13-29-11-9-27-7-5-24/h4-21H2,1-3H3

SMILES isoméricas

CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCBr

CAS alternativo

1623792-00-6

PubChem CID

77078295

Peso molecular

561.5

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 Dialkyl ethers Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 561.500 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 28
• Exact Mass: 560.22 Da
• Monoisotopic Mass: 560.22 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 434.000
• 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