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Methyltetrazine-PEG5-triethoxysilane | CAS 2353410-01-0
| Catalog Number | R08-0020 |
| Category | Tetrazines |
| Molecular Formula | C₂₉H₄₉N₅O₉Si |
| Molecular Weight | 639.81 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG5-triethoxysilane is a polyethylene glycol (PEG)-based PROTAC linker. Methyltetrazine-PEG5-triethoxysilane can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-N-[3-(triethoxysilyl)propyl]-3,6,9,12-tetraoxapentadecan-15-amide |
| Purity | 98% |
| IUPAC Name | 3-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-(3-triethoxysilylpropyl)propanamide |
| Canonical SMILES | CCO[Si](CCCNC(=O)CCOCCOCCOCCOCCOC1=CC=C(C=C1)C2=NN=C(N=N2)C)(OCC)OCC |
| InChI | InChI=1S/C29H49N5O9Si/c1-5-41-44(42-6-2,43-7-3)24-8-14-30-28(35)13-15-36-16-17-37-18-19-38-20-21-39-22-23-40-27-11-9-26(10-12-27)29-33-31-25(4)32-34-29/h9-12H,5-8,13-24H2,1-4H3,(H,30,35) |
| InChIKey | KTMPHUUZMIOJLF-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 27 |
| Exact Mass | 639.32995469 g/mol |
| Monoisotopic Mass | 639.32995469 g/mol |
| Topological Polar Surface Area | 155Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 685 |
| 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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