Tos-PEG3-CH2CO2tBu - ≥95% , CAS No.882518-89-0

CAS: 882518-89-0 Cat. No.: T597175 Summenformel: C₁₇H₂₆O₇S Molekulargewicht: 374.5 PubChem CID: 59766026

GRADE & PURITY ≥95%

Synonyms

tert-Butyl 2-(2-(2-(tosyloxy)ethoxy)ethoxy)acetate | Tos-PEG2-CH2-Boc

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Tos-PEG2-CH2-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs.

Specifications

Synonyme

tert-Butyl 2-(2-(2-(tosyloxy)ethoxy)ethoxy)acetate | Tos-PEG2-CH2-Boc

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528767522

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528767522

Kanonisches Lächeln

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCC(=O)OC(C)(C)C

IUPAC Name

tert-butyl 2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetate

InChIKey

NIPMXQFRYHXBAM-UHFFFAOYSA-N

INCHI

1S/C17H26O7S/c1-14-5-7-15(8-6-14)25(19,20)23-12-11-21-9-10-22-13-16(18)24-17(2,3)4/h5-8H,9-13H2,1-4H3

Isomere SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCC(=O)OC(C)(C)C

PubChem CID

59766026

Molekulargewicht

374.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonate esters
• Alternative Parents: p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in DMSO, DCM, DMF
• Molekulargewicht: 374.500 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 374.14 Da
• Monoisotopic Mass: 374.14 Da
• Topological Polar Surface Area: 96.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 482.000
• 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