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BDP TR alkyne | CAS 2006345-35-1
| Catalog Number | R02-0019 |
| Category | BODIPY |
| Molecular Formula | C24H18N3BF2O2S |
| Molecular Weight | 461.29 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
BDP TR is a borondipyrromethene fluorophore for ROX (Texas Red) channel. This is a universal fluorophore that can be used for microscopy, fluorescence polarization assay, and other applications. This derivative is a terminal alkyne for copper-catalyzed Click chemistry.
Chemical Information
Product Specification
Computed Properties
| Synonyms | Bodipy TR alkyne; 2-(4-(5,5-difluoro-7-(thiophen-2-yl)-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)phenoxy)-N-(prop-2-yn-1-yl)acetamide; 2-[4-(2,2-difluoro-12-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)phenoxy]-N-prop-2-ynylacetamide |
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | 2-[4-(2,2-difluoro-12-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)phenoxy]-N-prop-2-ynylacetamide |
| Canonical SMILES | [B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)C5=CC=C(C=C5)OCC(=O)NCC#C)(F)F |
| InChI | InChI=1S/C24H18BF2N3O2S/c1-2-13-28-24(31)16-32-20-9-5-17(6-10-20)21-11-7-18-15-19-8-12-22(23-4-3-14-33-23)30(19)25(26,27)29(18)21/h1,3-12,14-15H,13,16H2,(H,28,31) |
| InChIKey | NRAIVGWGVIETRD-UHFFFAOYSA-N |
| Solubility | good in DMF, DMSO, DCM |
| Appearance | dark colored solid |
| ε, L⋅mol-1⋅cm-1 | 69000 |
| Fluorescence Quantum Yield | 0.9 |
| Excitation | 589 |
| Emission | 616 |
| Storage | 24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate. |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 461.1180845 g/mol |
| Monoisotopic Mass | 461.1180845 g/mol |
| Topological Polar Surface Area | 74.5Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 935 |
| 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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