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Bromoacetyl-PEG3-DBCO
| Catalog Number | R01-0300 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₂₉H₃₄BrN₃O₆ |
| Molecular Weight | 600.50 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Bromoacetyl-PEG3-DBCO is a polyethylene glycol (PEG)-based PROTAC linker. Bromoacetyl-PEG3-DBCO can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Purity | >95% |
| IUPAC Name | 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCNC(=O)CBr |
| InChI | InChI=1S/C29H34BrN3O6/c30-21-28(35)32-14-16-38-18-20-39-19-17-37-15-13-31-27(34)11-12-29(36)33-22-25-7-2-1-5-23(25)9-10-24-6-3-4-8-26(24)33/h1-8H,11-22H2,(H,31,34)(H,32,35) |
| InChIKey | SEXUOTREYKXWFF-UHFFFAOYSA-N |
| Solubility | DCM, THF, acetonitrile, DMF and DMSO |
| Appearance | Light yellow oil |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 16 |
| Exact Mass | 599.16310 g/mol |
| Monoisotopic Mass | 599.16310 g/mol |
| Topological Polar Surface Area | 106Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 843 |
| 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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