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Methyltetrazine-PEG8-PFP ester | CAS 2353409-49-9
| Catalog Number | R08-0045 |
| Category | Tetrazines |
| Molecular Formula | C₃₄H₄₃F₅N₄O₁₁ |
| Molecular Weight | 778.72 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG8-PFP ester is a polyethylene glycol (PEG)-based PROTAC linker. Methyltetrazine-PEG8-PFP ester can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | Perfluorophenyl 1-(4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate; 2,3,4,5,6-pentafluorophenyl 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 | (2,3,4,5,6-pentafluorophenyl) 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)OC3=C(C(=C(C(=C3F)F)F)F)F |
| InChI | InChI=1S/C34H43F5N4O11/c1-24-40-42-34(43-41-24)25-2-4-26(5-3-25)53-23-22-52-21-20-51-19-18-50-17-16-49-15-14-48-13-12-47-11-10-46-9-8-45-7-6-27(44)54-33-31(38)29(36)28(35)30(37)32(33)39/h2-5H,6-23H2,1H3 |
| InChIKey | REVQAJYVXWMUAG-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 31 |
| Exact Mass | 778.28484901 g/mol |
| Monoisotopic Mass | 778.28484901 g/mol |
| Topological Polar Surface Area | 161Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 933 |
| 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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