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Methyltetrazine-amido-PEG7-azide | CAS 2112731-46-9
| Catalog Number | R08-0032 |
| Category | Tetrazines |
| Molecular Formula | C27H42N8O8 |
| Molecular Weight | 606.68 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-amido-PEG7-azide is a bifunctional PEG crosslinker and a PEG-based PROTAC linker that can be used in the synthesis of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 1-azido-N-{[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}-3,6,9,12,15,18,21-heptaoxatetracosan-24-amide |
| Purity | 98% |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] |
| InChI | InChI=1S/C27H42N8O8/c1-23-31-33-27(34-32-23)25-4-2-24(3-5-25)22-29-26(36)6-8-37-10-12-39-14-16-41-18-20-43-21-19-42-17-15-40-13-11-38-9-7-30-35-28/h2-5H,6-22H2,1H3,(H,29,36) |
| InChIKey | PQDMYSBOSSHIPG-UHFFFAOYSA-N |
| Solubility | Soluble in DMSO, DCM, DMF |
| Storage | -20 °C |
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 27 |
| Exact Mass | 606.31256033 g/mol |
| Monoisotopic Mass | 606.31256033 g/mol |
| Topological Polar Surface Area | 160Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 721 |
| 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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