Fluorescein-PEG4-acid | CAS 1807518-76-8

Name: Fluorescein-PEG4-acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

* Please be kindly noted products are not for therapeutic use. We do not sell to patients.

Product Introduction

Fluorescein-PEG4-acid is a polyethylene glycol (PEG)-based PROTAC linker. Fluorescein-PEG4-acid can be used in the synthesis of a series of PROTACs.

Synonyms	1-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)amino]-3,6,9,12-tetraoxapentadecan-15-oic acid; 3-[2-[2-[2-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid; 4,7,10,13-Tetraoxa-16-azaheptadecanoic acid, 17-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)amino]-17-thioxo-
Purity	96%
IUPAC Name	3-[2-[2-[2-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SMILES	C1=CC2=C(C=C1NC(=S)NCCOCCOCCOCCOCCC(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
InChI	InChI=1S/C32H34N2O11S/c35-21-2-5-25-27(18-21)44-28-19-22(36)3-6-26(28)32(25)24-4-1-20(17-23(24)30(39)45-32)34-31(46)33-8-10-41-12-14-43-16-15-42-13-11-40-9-7-29(37)38/h1-6,17-19,35-36H,7-16H2,(H,37,38)(H2,33,34,46)
InChIKey	DSZDFOCKVIPCKO-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	1.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	16
Exact Mass	654.18833108 g/mol
Monoisotopic Mass	654.18833108 g/mol
Topological Polar Surface Area	206Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	995
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