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N-(Propargyl-PEG4)-N-bis(PEG4-acid) | CAS 2093153-09-2
| Catalog Number | R01-0087 |
| Category | Alkynes |
| Molecular Formula | C₃₃H₆₁NO₁₆ |
| Molecular Weight | 727.83 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-(Propargyl-PEG4)-N-bis(PEG4-acid) is a polyethylene glycol (PEG)-based PROTAC linker. N-(Propargyl-PEG4)-N-bis(PEG4-acid) can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | N-(Propargyl-PEG4)-N-bis(PEG4-acid) HCl salt |
| Purity | 98% |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C#CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCCC(=O)O |
| InChI | InChI=1S/C33H61NO16/c1-2-8-39-14-20-45-26-29-48-23-17-42-11-5-34(6-12-43-18-24-49-30-27-46-21-15-40-9-3-32(35)36)7-13-44-19-25-50-31-28-47-22-16-41-10-4-33(37)38/h1H,3-31H2,(H,35,36)(H,37,38) |
| InChIKey | QTELQFWGTOEVNF-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | -4.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 43 |
| Exact Mass | 727.39903486 g/mol |
| Monoisotopic Mass | 727.39903486 g/mol |
| Topological Polar Surface Area | 189Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 742 |
| 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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