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APN-C3-PEG4-alkyne | CAS 2183440-36-8
| Catalog Number | R01-0119 |
| Category | Alkynes |
| Molecular Formula | C₂₅H₃₁N₃O₆ |
| Molecular Weight | 469.53 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
APN-C3-PEG4-alkyne is a polyethylene glycol (PEG)-based PROTAC linker. APN-C3-PEG4-alkyne can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | N-(4-((4-(cyanoethynyl)phenyl)amino)-4-oxobutyl)-4,7,10,13-tetraoxahexadec-15-ynamide |
| Purity | 98% |
| IUPAC Name | N-[4-(2-cyanoethynyl)phenyl]-4-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoylamino]butanamide |
| Canonical SMILES | C#CCOCCOCCOCCOCCC(=O)NCCCC(=O)NC1=CC=C(C=C1)C#CC#N |
| InChI | InChI=1S/C25H31N3O6/c1-2-14-31-16-18-33-20-21-34-19-17-32-15-11-24(29)27-13-4-6-25(30)28-23-9-7-22(8-10-23)5-3-12-26/h1,7-10H,4,6,11,13-21H2,(H,27,29)(H,28,30) |
| InChIKey | RDAQOUAJNYKTCK-UHFFFAOYSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 19 |
| Exact Mass | 469.22128572 g/mol |
| Monoisotopic Mass | 469.22128572 g/mol |
| Topological Polar Surface Area | 119Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 746 |
| 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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