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N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7 | CAS 2107273-84-5
| Catalog Number | A17-0180 |
| Category | Cyanine7 |
| Molecular Formula | C₄₆H₆₂Cl₂N₈O₆ |
| Molecular Weight | 893.94 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
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
Product Specification
Computed Properties
| 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 |
| InChIKey | AGTYTVSFKGQCDO-UHFFFAOYSA-M |
| Solubility | DMSO, DMF, DCM, low solubility in water |
| Excitation | 750 |
| Emission | 773 |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| 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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