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APN-C3-PEG4-azide | CAS 2183440-32-4
| Catalog Number | R14-0145 |
| Category | Azides |
| Molecular Formula | C₂₄H₃₂N₆O₆ |
| Molecular Weight | 500.55 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
APN-C3-PEG4-azide is a polyethylene glycol (PEG)-based PROTAC linker. APN-C3-PEG4-azide can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 1-azido-N-(3-{[4-(2-cyanoeth-1-yn-1-yl)phenyl]carbamoyl}propyl)-3,6,9,12-tetraoxapentadecan-15-amide; 1-azido-N-(4-((4-(cyanoethynyl)phenyl)amino)-4-oxobutyl)-3,6,9,12-tetraoxapentadecan-15-amide |
| Purity | 98% |
| IUPAC Name | 4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-(2-cyanoethynyl)phenyl]butanamide |
| Canonical SMILES | C1=CC(=CC=C1C#CC#N)NC(=O)CCCNC(=O)CCOCCOCCOCCOCCN=[N+]=[N-] |
| InChI | InChI=1S/C24H32N6O6/c25-10-1-3-21-5-7-22(8-6-21)29-24(32)4-2-11-27-23(31)9-13-33-15-17-35-19-20-36-18-16-34-14-12-28-30-26/h5-8H,2,4,9,11-20H2,(H,27,31)(H,29,32) |
| InChIKey | JKVJRGOKGCBEJR-UHFFFAOYSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 21 |
| Exact Mass | 500.23833276 g/mol |
| Monoisotopic Mass | 500.23833276 g/mol |
| Topological Polar Surface Area | 133Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 787 |
| 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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