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TCO-PEG8-TFP ester | CAS 2353410-06-5
| Catalog Number | R15-0037 |
| Category | Trans Cyclooctene (TCO) |
| Molecular Formula | C₃₄H₅₁F₄NO₁₂ |
| Molecular Weight | 741.76 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
TCO-PEG8-TFP ester is a polyethylene glycol (PEG)-based PROTAC linker. TCO-PEG8-TFP ester can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 2,3,5,6-Tetrafluorophenyl 1-(cyclooct-4-en-1-yloxy)-1-oxo-5,8,11,14,17,20,23,26-octaoxa-2-azanonacosan-29-oate; 2,3,5,6-Tetrafluorophenyl (E)-1-(cyclooct-4-en-1-yloxy)-1-oxo-5,8,11,14,17,20,23,26-octaoxa-2-azanonacosan-29-oate; 2,3,5,6-tetrafluorophenyl 1-({[(4Z)-cyclooct-4-en-1-yloxy]carbonyl}amino)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate |
| Purity | 95% |
| IUPAC Name | (2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC2=C(C(=CC(=C2F)F)F)F |
| InChI | InChI=1S/C34H51F4NO12/c35-28-26-29(36)32(38)33(31(28)37)51-30(40)8-10-42-12-14-44-16-18-46-20-22-48-24-25-49-23-21-47-19-17-45-15-13-43-11-9-39-34(41)50-27-6-4-2-1-3-5-7-27/h1-2,26-27H,3-25H2,(H,39,41)/b2-1- |
| InChIKey | LVMKBSBHWYSGNU-UPHRSURJSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 31 |
| Exact Mass | 741.33473871 g/mol |
| Monoisotopic Mass | 741.33473871 g/mol |
| Topological Polar Surface Area | 139Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 897 |
| 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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