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Propargyl-PEG3-t-butyl ester | CAS 1374658-84-0
| Catalog Number | R01-0175 |
| Category | Alkynes |
| Molecular Formula | C14H24O5 |
| Molecular Weight | 272.34 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Propargyl-PEG3-Boc is a polyethylene glycol (PEG)-based PROTAC linker. Propargyl-PEG3-Boc can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | Propargyl-PEG3-COOtBu; Propargyl-PEG3-Boc; Alkyne-PEG3-CH2CH2COOtBu; Propargyl-PEG2-CH2COOtBu; tert-Butyl 3-(2-(2-(prop-2-yn-1-yloxy)ethoxy)ethoxy)propanoate; 2-Methyl-2-propanyl 3-{2-[2-(2-propyn-1-yloxy)ethoxy]ethoxy}propanoate; Propanoic acid, 3-[2-[2-(2-propyn-1-yloxy)ethoxy]ethoxy]-, 1,1-dimethylethyl ester; Propargyl-PEG3-t-Bu Ester |
| Purity | >95% |
| IUPAC Name | tert-butyl 3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanoate |
| Canonical SMILES | CC(C)(C)OC(=O)CCOCCOCCOCC#C |
| InChI | InChI=1S/C14H24O5/c1-5-7-16-9-11-18-12-10-17-8-6-13(15)19-14(2,3)4/h1H,6-12H2,2-4H3 |
| InChIKey | JCKIGUAOHLRKLH-UHFFFAOYSA-N |
| Solubility | Soluble in DMSO |
| Density | 1.0±0.1 g/cm3 |
| Appearance | Pale Yellow Oily Liquid |
| Boiling Point | 337.2±27.0°C at 760 mmHg |
| Storage | Store at 2-8°C for short term (days to weeks) or -20°C for long term (months to years) |
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 12 |
| Exact Mass | 272.16237386 g/mol |
| Monoisotopic Mass | 272.16237386 g/mol |
| Topological Polar Surface Area | 54Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 284 |
| 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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