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N-(Azido-PEG3)-N-Boc-PEG3-acid | CAS 2112731-52-7
| Catalog Number | R14-0090 |
| Category | Azides |
| Molecular Formula | C₂₂H₄₂N₄O₁₀ |
| Molecular Weight | 522.59 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R14-0090 | -- | -- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-(Azido-PEG3)-N-Boc-PEG3-acid is a polyethylene glycol (PEG)-based PROTAC linker. N-(Azido-PEG3)-N-Boc-PEG3-acid can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 3-(2-{2-[2-(16-azido-2,2-dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-5-yl)ethoxy]ethoxy}ethoxy)propanoic acid; 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid |
| Purity | 95% |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | CC(C)(C)OC(=O)N(CCOCCOCCOCCC(=O)O)CCOCCOCCOCCN=[N+]=[N-] |
| InChI | InChI=1S/C22H42N4O10/c1-22(2,3)36-21(29)26(6-10-32-14-18-34-16-12-30-8-4-20(27)28)7-11-33-15-19-35-17-13-31-9-5-24-25-23/h4-19H2,1-3H3,(H,27,28) |
| InChIKey | CTQHJMLHBMSXLL-UHFFFAOYSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 26 |
| Exact Mass | 522.29009355 g/mol |
| Monoisotopic Mass | 522.29009355 g/mol |
| Topological Polar Surface Area | 137Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 612 |
| 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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