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Methyltetrazine-PEG24-NH-Boc
| Catalog Number | R08-0025 |
| Category | Tetrazines |
| Molecular Formula | C₆₂H₁₁₃N₅O₂₆ |
| Molecular Weight | 1344.58 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG24-NH-Boc is a polyethylene glycol (PEG)-based PROTAC linker. Methyltetrazine-PEG24-NH-Boc can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C |
| InChI | InChI=1S/C62H113N5O26/c1-57-64-66-60(67-65-57)58-5-7-59(8-6-58)92-56-55-91-54-53-90-52-51-89-50-49-88-48-47-87-46-45-86-44-43-85-42-41-84-40-39-83-38-37-82-36-35-81-34-33-80-32-31-79-30-29-78-28-27-77-26-25-76-24-23-75-22-21-74-20-19-73-18-17-72-16-15-71-14-13-70-12-11-69-10-9-63-61(68)93-62(2,3)4/h5-8H,9-56H2,1-4H3,(H,63,68) |
| InChIKey | LWOANXXOJMDCNB-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | -2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 30 |
| Rotatable Bond Count | 76 |
| Exact Mass | 1343.76737873 g/mol |
| Monoisotopic Mass | 1343.76737873 g/mol |
| Topological Polar Surface Area | 311Ų |
| Heavy Atom Count | 93 |
| Formal Charge | 0 |
| Complexity | 1500 |
| 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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