Fluorescein-PEG6-bis-NHS ester

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Fluorescein-PEG6-bis-NHS ester

Fluorescein-PEG6-bis-NHS ester | CAS 2055105-59-2

Catalog Number F04-0016
Category Fluorescein FAM
Molecular Formula C₄₄H₅₀N₄O₁₇S
Molecular Weight 938.95
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Product Introduction

Fluorescein-PEG6-bis-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. Fluorescein-PEG6-bis-NHS ester can be used in the synthesis of a series of PROTACs.

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

Synonyms (2,5-dioxopyrrolidin-1-yl) 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamothioylamino]benzoate; 2,5-dioxopyrrolidin-1-yl 1-((4-(3,6-dihydroxy-9H-xanthen-9-yl)-3-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)phenyl)amino)-1-thioxo-5,8,11,14,17,20-hexaoxa-2-azatricosan-23-oate
Purity 95%
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamothioylamino]benzoate
Canonical SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=S)NC2=CC(=C(C=C2)C3C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)C(=O)ON6C(=O)CCC6=O
InChI InChI=1S/C44H50N4O17S/c49-29-2-5-32-35(26-29)63-36-27-30(50)3-6-33(36)42(32)31-4-1-28(25-34(31)43(56)65-48-39(53)9-10-40(48)54)46-44(66)45-12-14-58-16-18-60-20-22-62-24-23-61-21-19-59-17-15-57-13-11-41(55)64-47-37(51)7-8-38(47)52/h1-6,25-27,42,49-50H,7-24H2,(H2,45,46,66)
InChIKey RFQSEQWGGWBICF-UHFFFAOYSA-N
Solubility Water, DMSO, DMF, DCM
Excitation 494
Emission 517
Storage Please store the product under the recommended conditions in the Certificate of Analysis.
XLogP3 0.8
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 28
Exact Mass 938.28916731 g/mol
Monoisotopic Mass 938.28916731 g/mol
Topological Polar Surface Area 289Ų
Heavy Atom Count 66
Formal Charge 0
Complexity 1590
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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