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BDP 581/591 tetrazine
| Catalog Number | R08-0001 |
| Category | BODIPY |
| Molecular Formula | C32H28N7BF2O |
| Molecular Weight | 575.42 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
BDP 581/591 is a borondipyrromethene dye with red emission. The dye exhibits high emission quantum yield and molar extinction coefficient, relatively long fluorescence lifetime and two-photon cross section. Additionally, it can be used as an intracellular ROS sensor. This tetrazine derivative allows to conjugate the fluorophore with various strained dienophiles like trans-cyclooctenes in a fast reaction called TCO-ligation.
Chemical Information
Product Specification
Computed Properties
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | 3-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide |
| Canonical SMILES | [B-]1(N2C(=CC=C2CCC(=O)NCC3=CC=C(C=C3)C4=NN=C(N=N4)C)C=C5[N+]1=C(C=C5)C=CC=CC6=CC=CC=C6)(F)F |
| InChI | InChI=1S/C32H28BF2N7O/c1-23-37-39-32(40-38-23)26-13-11-25(12-14-26)22-36-31(43)20-19-28-16-18-30-21-29-17-15-27(41(29)33(34,35)42(28)30)10-6-5-9-24-7-3-2-4-8-24/h2-18,21H,19-20,22H2,1H3,(H,36,43)/b9-5+,10-6+ |
| InChIKey | FJTGIDJJMYYWBZ-NXZHAISVSA-N |
| Solubility | well soluble in DMF, DMSO, dichloromethane, toluene |
| Appearance | colorless solid |
| ε, L⋅mol-1⋅cm-1 | 104000 |
| Fluorescence Quantum Yield | 0.83 |
| Excitation | 585 |
| Emission | 594 |
| 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 | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 575.2416450 g/mol |
| Monoisotopic Mass | 575.2416450 g/mol |
| Topological Polar Surface Area | 88.6Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1150 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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