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N-(Azido-PEG3)-N-Boc-PEG3-NHS ester | CAS 2112731-51-6
| Catalog Number | R14-0086 |
| Category | Azides |
| Molecular Formula | C₂₆H₄₅N₅O₁₂ |
| Molecular Weight | 619.66 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-(Azido-PEG3)-N-Boc-PEG3-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. N-(Azido-PEG3)-N-Boc-PEG3-NHS ester can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 2,5-dioxopyrrolidin-1-yl 3-(2-{2-[2-(16-azido-2,2-dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-5-yl)ethoxy]ethoxy}ethoxy)propanoate |
| Purity | 98% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | CC(C)(C)OC(=O)N(CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCOCCOCCOCCN=[N+]=[N-] |
| InChI | InChI=1S/C26H45N5O12/c1-26(2,3)42-25(35)30(9-13-39-17-21-41-19-15-37-11-7-28-29-27)8-12-38-16-20-40-18-14-36-10-6-24(34)43-31-22(32)4-5-23(31)33/h4-21H2,1-3H3 |
| InChIKey | KGZHKOJBRRUXFU-UHFFFAOYSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 28 |
| Exact Mass | 619.30647189 g/mol |
| Monoisotopic Mass | 619.30647189 g/mol |
| Topological Polar Surface Area | 163Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 863 |
| 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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