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DBCO-PEG2-NH-Boc | CAS 2377004-08-3
| Catalog Number | R01-0356 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₃₀H₃₇N₃O₆ |
| Molecular Weight | 535.63 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0356 | -- | -- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-PEG2-NH-Boc is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG2-NH-Boc can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | tert-butyl N-(2-{2-[2-(4-{2-azatricyclo[10.4.0.0,hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamido)ethoxy]ethoxy}ethyl)carbamate |
| Purity | 98% |
| IUPAC Name | tert-butyl N-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethyl]carbamate |
| Canonical SMILES | CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31 |
| InChI | InChI=1S/C30H37N3O6/c1-30(2,3)39-29(36)32-17-19-38-21-20-37-18-16-31-27(34)14-15-28(35)33-22-25-10-5-4-8-23(25)12-13-24-9-6-7-11-26(24)33/h4-11H,14-22H2,1-3H3,(H,31,34)(H,32,36) |
| InChIKey | GYLXPPCIPNVSKS-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 14 |
| Exact Mass | 535.26823591 g/mol |
| Monoisotopic Mass | 535.26823591 g/mol |
| Topological Polar Surface Area | 106Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 873 |
| 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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