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Biotin-PEG4-methyltetrazine | CAS 1835759-81-3
| Catalog Number | R08-0031 |
| Category | Tetrazines |
| Molecular Formula | C₂₇H₃₉N₇O₆S |
| Molecular Weight | 589.71 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Biotin-PEG4-methyltetrazine is a polyethylene glycol (PEG)-based PROTAC linker. Biotin-PEG4-methyltetrazine can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Purity | 95% |
| IUPAC Name | 5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4 |
| InChI | InChI=1S/C27H39N7O6S/c1-19-31-33-26(34-32-19)20-6-8-21(9-7-20)40-17-16-39-15-14-38-13-12-37-11-10-28-24(35)5-3-2-4-23-25-22(18-41-23)29-27(36)30-25/h6-9,22-23,25H,2-5,10-18H2,1H3,(H,28,35)(H2,29,30,36)/t22-,23-,25-/m1/s1 |
| InChIKey | FTGDGKKLLGMCLG-VDKIKQQVSA-N |
| Solubility | In DMSO: 50 mg/mL (84.79 mM; Need ultrasonic) |
| Storage | 4°C, sealed storage, away from moisture; In solvent, -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture) |
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 19 |
| Exact Mass | 589.26825316 g/mol |
| Monoisotopic Mass | 589.26825316 g/mol |
| Topological Polar Surface Area | 184Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 770 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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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