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N-(Azido-PEG3)-N-bis(PEG1-t-butyl ester) | CAS 2086689-00-9
| Catalog Number | R14-0058 |
| Category | Azides |
| Molecular Formula | C₂₆H₄₈N₄O₁₀ |
| Molecular Weight | 576.68 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R14-0058 | -- | -- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-(Azido-PEG3)-N-bis(PEG1-t-butyl ester) is a polyethylene glycol (PEG)-based PROTAC linker. N-(Azido-PEG3)-N-bis(PEG1-t-butyl ester) can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 2-(Azido-PEG3-amido)-1,3-bis(t-butyl ester) |
| Purity | 98% |
| IUPAC Name | tert-butyl 3-[2-[3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoylamino]-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]propoxy]propanoate |
| Canonical SMILES | CC(C)(C)OC(=O)CCOCC(COCCC(=O)OC(C)(C)C)NC(=O)CCOCCOCCOCCN=[N+]=[N-] |
| InChI | InChI=1S/C26H48N4O10/c1-25(2,3)39-23(32)8-12-37-19-21(20-38-13-9-24(33)40-26(4,5)6)29-22(31)7-11-34-15-17-36-18-16-35-14-10-28-30-27/h21H,7-20H2,1-6H3,(H,29,31) |
| InChIKey | MFAWTCNLWLJEKI-UHFFFAOYSA-N |
| Solubility | DMSO, DCM. DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 27 |
| Exact Mass | 576.33704374 g/mol |
| Monoisotopic Mass | 576.33704374 g/mol |
| Topological Polar Surface Area | 142Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 726 |
| 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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