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TCO-PEG3-acid | 2141981-86-2
| Catalog Number | R15-0035 |
| Category | Trans Cyclooctene (TCO) |
| Molecular Formula | C₁₈H₃₁NO₇ |
| Molecular Weight | 373.44 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R15-0035 | -- | $-- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
TCO-PEG3-acid is a polyethylene glycol (PEG)-based PROTAC linker. TCO-PEG3-acid can be used in the synthesis of a series of PROTACs.
- Chemical Information
- Product Specification
| Synonyms | 1-(Cyclooct-4-en-1-yloxy)-1-oxo-5,8,11-trioxa-2-azatetradecan-14-oic acid; 3-(2-{2-[2-({[(4Z)-cyclooct-4-en-1-yloxy]carbonyl}amino)ethoxy]ethoxy}ethoxy)propanoic acid |
| Purity | 95% |
| IUPAC Name | 3-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCC(=O)O |
| InChI | InChI=1S/C18H31NO7/c20-17(21)8-10-23-12-14-25-15-13-24-11-9-19-18(22)26-16-6-4-2-1-3-5-7-16/h1-2,16H,3-15H2,(H,19,22)(H,20,21)/b2-1- |
| InChI Key | LUXDTTWUFRONNF-UPHRSURJSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Computed Properties | |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 14 |
| Exact Mass | 373.21005233 g/mol |
| Monoisotopic Mass | 373.21005233 g/mol |
| Topological Polar Surface Area | 103Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 414 |
| 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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