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DBCO-NH-Boc | CAS 1539290-74-8
| Catalog Number | R01-0351 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₂₃H₂₄N₂O₃ |
| Molecular Weight | 376.45 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-NH-Boc is a click chemistry reagent, which can be used as a PROTAC linker for the synthesis of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | tert-butyl N-(3-{2-azatricyclo[10.4.0.0,hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamate |
| Purity | 98% |
| IUPAC Name | tert-butyl N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]carbamate |
| Canonical SMILES | CC(C)(C)OC(=O)NCCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31 |
| InChI | InChI=1S/C23H24N2O3/c1-23(2,3)28-22(27)24-15-14-21(26)25-16-19-10-5-4-8-17(19)12-13-18-9-6-7-11-20(18)25/h4-11H,14-16H2,1-3H3,(H,24,27) |
| InChIKey | REYNVEBGFQGBTG-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 376.17869263 g/mol |
| Monoisotopic Mass | 376.17869263 g/mol |
| Topological Polar Surface Area | 58.6Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 639 |
| 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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