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TCO-PEG3-NHS ester | CAS 2141981-88-4
| Catalog Number | R15-0046 |
| Category | Trans Cyclooctene (TCO) |
| Molecular Formula | C₂₂H₃₄N₂O₉ |
| Molecular Weight | 470.51 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
TCO-PEG3-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. TCO-PEG3-NHS ester can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 2,5-Dioxopyrrolidin-1-yl 1-(cyclooct-4-en-1-yloxy)-1-oxo-5,8,11-trioxa-2-azatetradecan-14-oate; (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoate; 2,5-dioxopyrrolidin-1-yl 3-(2-{2-[2-({[(4Z)-cyclooct-4-en-1-yloxy]carbonyl}amino)ethoxy]ethoxy}ethoxy)propanoate |
| Purity | 95% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O |
| InChI | InChI=1S/C22H34N2O9/c25-19-8-9-20(26)24(19)33-21(27)10-12-29-14-16-31-17-15-30-13-11-23-22(28)32-18-6-4-2-1-3-5-7-18/h1-2,18H,3-17H2,(H,23,28)/b2-1- |
| InChIKey | BLPWLRIVXKTLNU-UPHRSURJSA-N |
| Solubility | In DMSO: 100 mg/mL (212.54 mM; Need ultrasonic) |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 16 |
| Exact Mass | 470.22643067 g/mol |
| Monoisotopic Mass | 470.22643067 g/mol |
| Topological Polar Surface Area | 130Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 652 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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