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Pyrene-PEG5-biotin
| Catalog Number | F08-0005 |
| Category | Pyrene Dyes |
| Molecular Formula | C₃₉H₅₀N₄O₈S |
| Molecular Weight | 734.90 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Pyrene-PEG5-biotin is a polyethylene glycol (PEG)-based PROTAC linker. Pyrene-PEG5-biotin can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Purity | 97% |
| IUPAC Name | N-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrene-1-carboxamide |
| Canonical SMILES | C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)NC(=O)N2 |
| InChI | InChI=1S/C39H50N4O8S/c44-34(7-2-1-6-33-37-32(26-52-33)42-39(46)43-37)40-14-16-47-18-20-49-22-24-51-25-23-50-21-19-48-17-15-41-38(45)31-13-11-29-9-8-27-4-3-5-28-10-12-30(31)36(29)35(27)28/h3-5,8-13,32-33,37H,1-2,6-7,14-26H2,(H,40,44)(H,41,45)(H2,42,43,46)/t32-,33-,37-/m0/s1 |
| InChIKey | ODIVXJVCOCDDJO-BMQPFVSWSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 24 |
| Exact Mass | 734.33493574 g/mol |
| Monoisotopic Mass | 734.33493574 g/mol |
| Topological Polar Surface Area | 171Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 1120 |
| 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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