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N-(Propargyl-PEG2)-N-Boc-PEG3-t-butyl ester | CAS 2093152-78-2
| Catalog Number | R01-0103 |
| Category | Alkynes |
| Molecular Formula | C₂₅H₄₅NO₉ |
| Molecular Weight | 503.63 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-(Propargyl-PEG2)-N-Boc-PEG3-t-butyl ester is a polyethylene glycol (PEG)-based PROTAC linker. N-(Propargyl-PEG2)-N-Boc-PEG3-t-butyl ester can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | N-(PROPARGYL-PEG2)-N-BOC-PEG3-T-BUTYLESTER; tert-butyl 3-(2-{2-[2-(2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatetradec-13-yn-5-yl)ethoxy]ethoxy}ethoxy)propanoate; tert-butyl 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethoxy]ethoxy]propanoate |
| Purity | 98% |
| IUPAC Name | tert-butyl 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | CC(C)(C)OC(=O)CCOCCOCCOCCN(CCOCCOCC#C)C(=O)OC(C)(C)C |
| InChI | InChI=1S/C25H45NO9/c1-8-12-29-16-18-31-14-10-26(23(28)35-25(5,6)7)11-15-32-19-21-33-20-17-30-13-9-22(27)34-24(2,3)4/h1H,9-21H2,2-7H3 |
| InChIKey | CYUDPFZOQSQYJL-UHFFFAOYSA-N |
| Solubility | DMSO, DMF, DCM |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 23 |
| Exact Mass | 503.30943201 g/mol |
| Monoisotopic Mass | 503.30943201 g/mol |
| Topological Polar Surface Area | 102Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 617 |
| 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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