Fluorescein-PEG3-amine

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Fluorescein-PEG3-amine

Fluorescein-PEG3-amine | 1807539-04-3

Catelog Number F04-0015
Category Fluorescein FAM
Molecular Formula C₂₉H₃₁N₃O₈S
Molecular Weight 581.64
Catalog Number Size Price Quantity
F04-0015 -- $--

Product Introduction

Fluorescein-PEG3-amine is a polyethylene glycol (PEG)-based PROTAC linker. Fluorescein-PEG3-amine can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms 1-(2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethyl)-3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)thiourea; 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)thiourea; 3-(2-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}ethyl)-1-{3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}thiourea
Purity 96%
IUPAC Name 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)thiourea
Canonical SMILES C1=CC2=C(C=C1NC(=S)NCCOCCOCCOCCN)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
InChI InChI=1S/C29H31N3O8S/c30-7-9-36-11-13-38-14-12-37-10-8-31-28(41)32-18-1-4-22-21(15-18)27(35)40-29(22)23-5-2-19(33)16-25(23)39-26-17-20(34)3-6-24(26)29/h1-6,15-17,33-34H,7-14,30H2,(H2,31,32,41)
InChI Key SQJRQGZXMBEAHI-UHFFFAOYSA-N
Solubility DMSO, DMF, DCM

Product Specification

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

Computed Properties

XLogP3 1.6
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 12
Exact Mass 581.18318613 g/mol
Monoisotopic Mass 581.18318613 g/mol
Topological Polar Surface Area 186Ų
Heavy Atom Count 41
Formal Charge 0
Complexity 857
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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