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DBCO-C6-NHS ester | CAS 1384870-47-6
| Catalog Number | R01-0024 |
| Category | NHS Esters |
| Molecular Formula | C25H22N2O5 |
| Molecular Weight | 430.46 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | DBCO NHS ester;DBCO-NHS ester 2; Azadibenzocyclooctyne-NHS ester; DBCO-(CH2)2-NH2-CO-(CH2)4COOH-NHS |
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | |
| Canonical SMILES | C1CC(=O)N(C1=O)OC(=O)CCCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| InChI | InChI=1S/C25H22N2O5/c28-22(11-5-6-12-25(31)32-27-23(29)15-16-24(27)30)26-17-20-9-2-1-7-18(20)13-14-19-8-3-4-10-21(19)26/h1-4,7-10H,5-6,11-12,15-17H2 |
| InChIKey | CATTUKBAYDNTEG-UHFFFAOYSA-N |
| Solubility | good in DCM, DMF, DMSO |
| Density | 1.37±0.1 g/cm3 |
| Appearance | off-white solid |
| Boiling Point | 685.5±65.0 °C at 760 mmHg |
| Storage | 12 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate. |
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 430.15287181 g/mol |
| Monoisotopic Mass | 430.15287181 g/mol |
| Topological Polar Surface Area | 84Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 809 |
| 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 |
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2022263944-A1 | Azido-containing monomers, polymers, and articles | 2021-06-16 |
| WO-2021178818-A2 | Therapeutic agents and conjugates thereof | 2020-03-06 |
| US-2022280598-A1 | Complement inhibitor dosing regimens | 2019-07-18 |
| US-2022249706-A1 | Viral vector therapy | 2019-07-05 |
| WO-2020229982-A1 | Antibody drug conjugates | 2019-05-10 |
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