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Propargyl-PEG7-t-butyl ester | CAS 1818294-29-9
| Catalog Number | R01-0171 |
| Category | Alkynes |
| Molecular Formula | C22H40O9 |
| Molecular Weight | 448.55 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Propargyl-PEG7-Boc is a polyethylene glycol (PEG)-based PROTAC linker. Propargyl-PEG7-Boc can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | Propargyl-PEG7-Boc; Propargyl-PEG7-COOtBu; Propargyl-PEG6-CH2COOtBu; Propargyl-PEG6-CH2CH2COOtBu; 4,7,10,13,16,19,22-Heptaoxapentacos-24-ynoic acid, 1,1-dimethylethyl ester; Propargyl-PEG7-tBu ester; 2-Methyl-2-propanyl 4,7,10,13,16,19,22-heptaoxapentacos-24-yn-1-oate |
| Purity | >95% |
| IUPAC Name | tert-butyl 3-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCC#C |
| InChI | InChI=1S/C22H40O9/c1-5-7-24-9-11-26-13-15-28-17-19-30-20-18-29-16-14-27-12-10-25-8-6-21(23)31-22(2,3)4/h1H,6-20H2,2-4H3 |
| InChIKey | ZYHHJKFUMHBJSI-UHFFFAOYSA-N |
| Solubility | Soluble in DCM, DMF, DMSO |
| Density | 1.059±0.06 g/cm3 (Predicted) |
| Appearance | Pale Yellow or Colorless Oily Liquid |
| Boiling Point | 494.3±40.0°C (Predicted) |
| Storage | Store at 2-8°C |
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 24 |
| Exact Mass | 448.26723285 g/mol |
| Monoisotopic Mass | 448.26723285 g/mol |
| Topological Polar Surface Area | 90.9Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 454 |
| 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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