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BDP TR methyltetrazine | CAS 2183473-54-1
| Catalog Number | F01-0222 |
| Category | BODIPY |
| Molecular Formula | C31H24BF2N7O2S |
| Molecular Weight | 607.5 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
BDP TR methyltetrazine is a BDP dye linker containing a methyltetrazine group. Methyltetrazine is reactive toward trans-cyclooctenes. The additional methyl on the methyltetrazine enhances the stability of the group.
Chemical Information
Product Specification
Computed Properties
| Synonyms | BDPTRmethyltetrazine |
| Purity | 98% |
| IUPAC Name | 2-[4-(2,2-difluoro-12-thiophen-2-yl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-5,7,9,11-tetraen-4-yl)phenoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]acetamide |
| Canonical SMILES | [B-]1(N2C(C=CC2=CC3=CC=C(N31)C4=CC=CS4)C5=CC=C(C=C5)OCC(=O)NCC6=CC=C(C=C6)C7=NN=C(N=N7)C)(F)F |
| InChI | InChI=1S/C31H25BF2N7O2S/c1-20-36-38-31(39-37-20)23-6-4-21(5-7-23)18-35-30(42)19-43-26-12-8-22(9-13-26)27-14-10-24-17-25-11-15-28(29-3-2-16-44-29)41(25)32(33,34)40(24)27/h2-17,27H,18-19H2,1H3,(H,35,42)/q-1 |
| InChIKey | MZDFKWBMDRSAJA-UHFFFAOYSA-N |
| Solubility | DMF, DMSO, DCM |
| Fluorescence Quantum Yield | 0.90 |
| Excitation | 589 |
| Emission | 616 |
| Storage | -20 °C |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 8 |
| Exact Mass | 608.1851557 g/mol |
| Monoisotopic Mass | 608.1851557 g/mol |
| Topological Polar Surface Area | 126Ų |
| Heavy Atom Count | 44 |
| Formal Charge | -1 |
| Complexity | 1080 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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