Fluorescein-PEG3-amine

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Fluorescein-PEG3-amine

Fluorescein-PEG3-amine | 1807539-04-3

Catalog 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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