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Pyrene-PEG5-propargyl | CAS 1817735-33-3
| Catalog Number | F08-0004 |
| Category | Pyrene Dyes |
| Molecular Formula | C₃₀H₃₃NO₆ |
| Molecular Weight | 503.59 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Pyrene-PEG5-propargyl is a polyethylene glycol (PEG)-based PROTAC linker. Pyrene-PEG5-propargyl can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | N-(3,6,9,12,15-Pentaoxaoctadec-17-yn-1-yl)pyrene-1-carboxamide; 1-Pyrenecarboxamide, N-3,6,9,12,15-pentaoxaoctadec-17-yn-1-yl-; N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrene-1-carboxamide |
| Purity | 98% |
| IUPAC Name | N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrene-1-carboxamide |
| Canonical SMILES | C#CCOCCOCCOCCOCCOCCNC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
| InChI | InChI=1S/C30H33NO6/c1-2-13-33-15-17-35-19-21-37-22-20-36-18-16-34-14-12-31-30(32)27-11-9-25-7-6-23-4-3-5-24-8-10-26(27)29(25)28(23)24/h1,3-11H,12-22H2,(H,31,32) |
| InChIKey | XGANKSIJSRXKLW-UHFFFAOYSA-N |
| Solubility | DMSO, DMF, DCM |
| Fluorescence Quantum Yield | 1.00 |
| Excitation | 343; 326; 313 |
| Emission | 377; 397 |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 17 |
| Exact Mass | 503.23078777 g/mol |
| Monoisotopic Mass | 503.23078777 g/mol |
| Topological Polar Surface Area | 75.2Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 722 |
| 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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