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Methyltetrazine-PEG8-NHS ester | CAS 2183440-34-6
| Catalog Number | R08-0048 |
| Category | Tetrazines |
| Molecular Formula | C₃₂H₄₇N₅O₁₃ |
| Molecular Weight | 709.74 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R08-0048 | -- | -- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG8-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. Methyltetrazine-PEG8-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-(4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate |
| Purity | 98% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O |
| InChI | InChI=1S/C32H47N5O13/c1-26-33-35-32(36-34-26)27-2-4-28(5-3-27)49-25-24-48-23-22-47-21-20-46-19-18-45-17-16-44-15-14-43-13-12-42-11-10-41-9-8-31(40)50-37-29(38)6-7-30(37)39/h2-5H,6-25H2,1H3 |
| InChIKey | HBEBYIRKMRTDSK-UHFFFAOYSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | -1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 31 |
| Exact Mass | 709.31703657 g/mol |
| Monoisotopic Mass | 709.31703657 g/mol |
| Topological Polar Surface Area | 198Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 892 |
| 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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