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BDP 558/568 NHS ester | CAS 150173-73-2
| Catalog Number | R01-0005 |
| Category | BODIPY |
| Molecular Formula | C20H16BF2N3O4S |
| Molecular Weight | 443.23 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
BDP 558/568 NHS ester is a BDP dye linker with similar emission to other dyes such as Cyanine3. It is a borondipyrromethene fluorophore with emission in the yellow part of the spectrum.
Chemical Information
Product Specification
Computed Properties
| Synonyms | BODIPY 558/568 NHS Ester |
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)propanoate |
| Canonical SMILES | [B-]1(N2C(=CC=C2CCC(=O)ON3C(=O)CCC3=O)C=C4[N+]1=C(C=C4)C5=CC=CS5)(F)F |
| InChI | InChI=1S/C20H16BF2N3O4S/c22-21(23)24-13(6-10-20(29)30-26-18(27)8-9-19(26)28)3-4-14(24)12-15-5-7-16(25(15)21)17-2-1-11-31-17/h1-5,7,11-12H,6,8-10H2 |
| InChIKey | DPIQWSPHMYACPD-UHFFFAOYSA-N |
| Solubility | good in DMF, DMSO, ethyl acetate |
| Appearance | dark colored solid |
| ε, L⋅mol-1⋅cm-1 | 84400 |
| Excitation | 561 |
| Emission | 569 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 443.0922637 g/mol |
| Monoisotopic Mass | 443.0922637 g/mol |
| Topological Polar Surface Area | 99.9Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 921 |
| 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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