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

Chemical Information

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
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

Product Specification

Excitation 494
Emission 517
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Application

Computed Properties

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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