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Propargyl-PEG4-t-butyl ester | CAS 1355197-66-8
| Catalog Number | R01-0174 |
| Category | Alkynes |
| Molecular Formula | C16H28O6 |
| Molecular Weight | 316.39 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Propargyl-PEG4-Boc is a polyethylene glycol (PEG)-based PROTAC linker. Propargyl-PEG4-Boc can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | Propargyl-PEG4-COOtBu; Propargyl-PEG4-Boc; Alkyne-PEG4-CH2CH2COOtBu; tert-Butyl 4,7,10,13-tetraoxahexadec-15-yn-1-oate; Propargyl-PEG4-t-Bu Ester; 4,7,10,13-Tetraoxahexadec-15-ynoic acid, 1,1-dimethylethyl ester; 2-Methyl-2-propanyl 4,7,10,13-tetraoxahexadec-15-yn-1-oate; tert-butyl 4,7,10,13-tetraoxahexadec-15-ynoate |
| Purity | >95% |
| IUPAC Name | tert-butyl 3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoate |
| Canonical SMILES | CC(C)(C)OC(=O)CCOCCOCCOCCOCC#C |
| InChI | InChI=1S/C16H28O6/c1-5-7-18-9-11-20-13-14-21-12-10-19-8-6-15(17)22-16(2,3)4/h1H,6-14H2,2-4H3 |
| InChIKey | BEQLPTKRFULADF-UHFFFAOYSA-N |
| Solubility | Soluble in DCM, DMF, DMSO |
| Density | 1.0±0.1 g/cm3 |
| Appearance | Pale Yellow or Colorless Oily Liquid |
| Boiling Point | 380.3±32.0°C at 760 mmHg |
| Storage | Store at 2-8°C |
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 15 |
| Exact Mass | 316.18858861 g/mol |
| Monoisotopic Mass | 316.18858861 g/mol |
| Topological Polar Surface Area | 63.2Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 325 |
| 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 |
| Publication Number | Title | Priority Date |
|---|---|---|
| EP-2590656-A2 | Compounds and methods for inhibiting phosphate transport | 2010-07-07 |
| EP-2590656-B1 | Compounds and methods for inhibiting phosphate transport | 2010-07-07 |
| EP-2591354-A1 | Compounds and methods for inhibiting phosphate transport | 2010-07-07 |
| EP-2591354-B1 | Compounds and methods for inhibiting phosphate transport | 2010-07-07 |
| US-2013336920-A1 | Compounds and methods for inhibiting phosphate transport | 2010-07-07 |
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