Fluorescein-PEG3-amine | CAS 1807539-04-3

Name: Fluorescein-PEG3-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	F04-0015
Category	Fluorescein FAM
Molecular Formula	C₂₉H₃₁N₃O₈S
Molecular Weight	581.64

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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
Product Specification
Computed Properties

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
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)
InChIKey	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	186Å²
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