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N-(Azido-PEG4)-N-bis(PEG4-t-butyl ester) | CAS 2093152-79-3
| Catalog Number | R14-0055 |
| Category | Azides |
| Molecular Formula | C₄₀H₇₈N₄O₁₆ |
| Molecular Weight | 871.06 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R14-0055 | -- | -- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-(Azido-PEG4)-N-bis(PEG4-t-butyl ester) is a polyethylene glycol (PEG)-based PROTAC linker. N-(Azido-PEG4)-N-bis(PEG4-t-butyl ester) can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | N-(AZIDO-PEG4)-N-BIS(PEG4-T-BUTYLESTER); 1,31-di-tert-butyl 16-(14-azido-3,6,9,12-tetraoxatetradecan-1-yl)-4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioate; di-tert-butyl 16-(14-azido-3,6,9,12-tetraoxatetradecyl)-4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioate |
| Purity | 98% |
| IUPAC Name | tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)OC(C)(C)C)CCOCCOCCOCCOCCN=[N+]=[N-] |
| InChI | InChI=1S/C40H78N4O16/c1-39(2,3)59-37(45)7-13-47-19-25-53-31-34-56-28-22-50-16-10-44(12-18-52-24-30-58-36-33-55-27-21-49-15-9-42-43-41)11-17-51-23-29-57-35-32-54-26-20-48-14-8-38(46)60-40(4,5)6/h7-36H2,1-6H3 |
| InChIKey | SGDLRHGVQBJFAO-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 49 |
| Exact Mass | 870.54128241 g/mol |
| Monoisotopic Mass | 870.54128241 g/mol |
| Topological Polar Surface Area | 181Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 973 |
| 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 |
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