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TCO-PEG4-TCO | CAS 2243569-23-3
| Catalog Number | R15-0009 |
| Category | Trans Cyclooctene (TCO) |
| Molecular Formula | C₂₈H₄₈N₂O₈ |
| Molecular Weight | 540.69 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
TCO-PEG4-TCO is a polyethylene glycol (PEG)-based PROTAC linker. TCO-PEG4-TCO can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | Di(cyclooct-4-en-1-yl) (3,6,9,12-tetraoxatetradecane-1,14-diyl)dicarbamate; (4Z)-cyclooct-4-en-1-yl N-[14-({[(4Z)-cyclooct-4-en-1-yloxy]carbonyl}amino)-3,6,9,12-tetraoxatetradecan-1-yl]carbamate |
| Purity | 95% |
| IUPAC Name | [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| Canonical SMILES | C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCNC(=O)OC2CCCC=CCC2 |
| InChI | InChI=1S/C28H48N2O8/c31-27(37-25-11-7-3-1-4-8-12-25)29-15-17-33-19-21-35-23-24-36-22-20-34-18-16-30-28(32)38-26-13-9-5-2-6-10-14-26/h1-3,5,25-26H,4,6-24H2,(H,29,31)(H,30,32)/b3-1-,5-2- |
| InChIKey | ZLDVUVLAIKSQGP-LEWNYYKSSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 19 |
| Exact Mass | 540.34106649 g/mol |
| Monoisotopic Mass | 540.34106649 g/mol |
| Topological Polar Surface Area | 114Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 617 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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