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Methyltetrazine-PEG5-alkyne | CAS 1802907-97-6
| Catalog Number | R08-0035 |
| Category | Tetrazines |
| Molecular Formula | C₂₀H₂₆N₄O₅ |
| Molecular Weight | 402.44 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG5-alkyne is a polyethylene glycol (PEG)-based PROTAC linker. Methyltetrazine-PEG5-alkyne can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | Methyltetrazine-PEG4-Alkyne; 3-(4-(3,6,9,12-Tetraoxapentadec-14-yn-1-yloxy)phenyl)-6-methyl-1,2,4,5-tetrazine; 3-methyl-6-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,2,4,5-tetrazine |
| Purity | 95% |
| IUPAC Name | 3-methyl-6-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,2,4,5-tetrazine |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCC#C |
| InChI | InChI=1S/C20H26N4O5/c1-3-8-25-9-10-26-11-12-27-13-14-28-15-16-29-19-6-4-18(5-7-19)20-23-21-17(2)22-24-20/h1,4-7H,8-16H2,2H3 |
| InChIKey | OAKPIEOTVXLRCN-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 15 |
| Exact Mass | 402.19031994 g/mol |
| Monoisotopic Mass | 402.19031994 g/mol |
| Topological Polar Surface Area | 97.7Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 445 |
| 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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