N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7

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N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7

N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7 | 2107273-84-5

Catelog Number A17-0180
Category Cyanine7
Molecular Formula C₄₆H₆₂Cl₂N₈O₆
Molecular Weight 893.94
Catalog Number Size Price Quantity
A17-0180 -- $--

Product Introduction

N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7 is a polyethylene glycol (PEG)-based PROTAC linker. N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7 can be used in the synthesis of a series of PROTACs.

Chemical Information

Purity 98%
IUPAC Name 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2Z)-2-[3-[(E)-2-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindole;chloride
Canonical SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCOCCOCCOCCN=[N+]=[N-])(C)C)CCC3)Cl)CCOCCOCCOCCN=[N+]=[N-])C.[Cl-]
InChI InChI=1S/C46H62ClN8O6.ClH/c1-45(2)38-12-5-7-14-40(38)54(22-26-58-30-34-60-32-28-56-24-20-50-52-48)42(45)18-16-36-10-9-11-37(44(36)47)17-19-43-46(3,4)39-13-6-8-15-41(39)55(43)23-27-59-31-35-61-33-29-57-25-21-51-53-49;/h5-8,12-19H,9-11,20-35H2,1-4H3;1H/q+1;/p-1
InChI Key AGTYTVSFKGQCDO-UHFFFAOYSA-M
Solubility DMSO, DMF, DCM, low solubility in water

Product Specification

Excitation 750
Emission 773
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 27
Exact Mass 892.4169371 g/mol
Monoisotopic Mass 892.4169371 g/mol
Topological Polar Surface Area 90.4Ų
Heavy Atom Count 62
Formal Charge 0
Complexity 1540
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
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