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Methyltetrazine-PEG8-acid | CAS 2183440-33-5
| Catalog Number | R08-0056 |
| Category | Tetrazines |
| Molecular Formula | C₂₈H₄₄N₄O₁₁ |
| Molecular Weight | 612.67 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG8-acid is a polyethylene glycol (PEG)-based PROTAC linker. Methyltetrazine-PEG8-acid 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)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid |
| Purity | 95% |
| IUPAC Name | 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]propanoic acid |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O |
| InChI | InChI=1S/C28H44N4O11/c1-24-29-31-28(32-30-24)25-2-4-26(5-3-25)43-23-22-42-21-20-41-19-18-40-17-16-39-15-14-38-13-12-37-11-10-36-9-8-35-7-6-27(33)34/h2-5H,6-23H2,1H3,(H,33,34) |
| InChIKey | JDJSAIBRQJQXLA-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 29 |
| Exact Mass | 612.30065823 g/mol |
| Monoisotopic Mass | 612.30065823 g/mol |
| Topological Polar Surface Area | 172Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 640 |
| 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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