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Propargyl-PEG4-Sulfone-PEG4-acid | CAS 2055024-41-2
| Catalog Number | R01-0095 |
| Category | Alkynes |
| Molecular Formula | C₂₂H₄₀O₁₂S |
| Molecular Weight | 528.61 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Propargyl-PEG4-Sulfone-PEG4-acid is a polyethylene glycol (PEG)-based PROTAC linker. Propargyl-PEG4-Sulfone-PEG4-acid can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylsulfonyl]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid; 1-(3,6,9,12-tetraoxapentadec-14-yne-1-sulfonyl)-3,6,9,12-tetraoxapentadecan-15-oic acid; 4,7,10,13,19,22,25,28-Octaoxa-16-thiahentriacont-30-ynoic acid, 16,16-dioxide |
| Purity | 98% |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylsulfonyl]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C#CCOCCOCCOCCOCCS(=O)(=O)CCOCCOCCOCCOCCC(=O)O |
| InChI | InChI=1S/C22H40O12S/c1-2-4-27-6-8-29-10-12-31-14-16-33-18-20-35(25,26)21-19-34-17-15-32-13-11-30-9-7-28-5-3-22(23)24/h1H,3-21H2,(H,23,24) |
| InChIKey | OXAQXWXCUYMFPX-UHFFFAOYSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | -2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 28 |
| Exact Mass | 528.22404788 g/mol |
| Monoisotopic Mass | 528.22404788 g/mol |
| Topological Polar Surface Area | 154Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 626 |
| 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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