N-(m-PEG4)-N'-(PEG3-Mal)-Cy5

Name: N-(m-PEG4)-N'-(PEG3-Mal)-Cy5
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	A17-0142
Category	Cyanine5
Molecular Formula	C₄₉H₆₇ClN₄O₁₀
Molecular Weight	907.53

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Product Introduction

N-(m-PEG4)-N'-(PEG3-Mal)-Cy5 is a polyethylene glycol (PEG)-based PROTAC linker. N-(m-PEG4)-N'-(PEG3-Mal)-Cy5 can be used in the synthesis of a series of PROTACs.

Chemical Information
Product Specification
Computed Properties

Chemical Information

Purity	98%
IUPAC Name	3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide;chloride
SMILES	CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCOC)(C)C)CCOCCOCCOCCNC(=O)CCN5C(=O)C=CC5=O)C.[Cl-]
InChI	InChI=1S/C49H66N4O10.ClH/c1-48(2)39-13-9-11-15-41(39)51(24-27-59-32-35-62-34-31-58-26-22-50-45(54)21-23-53-46(55)19-20-47(53)56)43(48)17-7-6-8-18-44-49(3,4)40-14-10-12-16-42(40)52(44)25-28-60-33-36-63-38-37-61-30-29-57-5;/h6-20H,21-38H2,1-5H3;1H
InChIKey	KQINBUJCBKWMHU-UHFFFAOYSA-N
Solubility	Water, DMSO, DMF, DCM

Product Specification

Excitation	649
Emission	667
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	30
Exact Mass	906.4545720 g/mol
Monoisotopic Mass	906.4545720 g/mol
Topological Polar Surface Area	137Å²
Heavy Atom Count	64
Formal Charge	0
Complexity	1590
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes