PEG5-Tos , CAS No.155130-15-7

CAS: 155130-15-7 Cat. No.: P412692 Summenformel: C₁₇H₂₈O₈S Molekulargewicht: 392.5 PubChem CID: 15198040

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

Antibody Drug Conjugates(ADC), Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Übersicht

Information

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

Spezifikationen

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Namen und Kennungen

Kanonisches Lächeln

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCO

IUPAC Name

2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

InChIKey

NSODVVYOWINKAG-UHFFFAOYSA-N

INCHI

1S/C17H28O8S/c1-16-2-4-17(5-3-16)26(19,20)25-15-14-24-13-12-23-11-10-22-9-8-21-7-6-18/h2-5,18H,6-15H2,1H3

Isomere SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCO

PubChem CID

15198040

Molekulargewicht

392.5

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 Polyethylene glycols Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Polyethylene glycol - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Dialkyl ether - Organic oxide - Alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organic oxygen compound - 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 (25°C) In vitro
• Molekulargewicht: 392.500 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 16
• Exact Mass: 392.15 Da
• Monoisotopic Mass: 392.15 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 415.000
• 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