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Cyanine7.5 alkyne
| Catalog Number | R02-0025 |
| Category | Cyanine7.5 |
| Molecular Formula | C48H52ClN3O |
| Molecular Weight | 722.40 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Alkyne derivative of Cyanine7.5, a near infrared fluorophore. This alkyne is suitable for copper-catalyzed Click Chemistry. This fluorophore is useful for in vivo imaging, its spectral properties are similar to ICG (indocyanine green) with somewhat higher fluorescence quantum yield.
Chemical Information
Product Specification
Computed Properties
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | 6-[1,1-dimethyl-2-[2-[3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]-N-prop-2-ynylhexanamide;chloride |
| Canonical SMILES | CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=CC(=CC=C5C(C6=C(N5CCCCCC(=O)NCC#C)C=CC7=CC=CC=C76)(C)C)CCC4)C.[Cl-] |
| InChI | InChI=1S/C48H51N3O.ClH/c1-7-31-49-44(52)22-9-8-14-32-51-41-28-26-37-19-11-13-21-39(37)46(41)48(4,5)43(51)30-24-35-17-15-16-34(33-35)23-29-42-47(2,3)45-38-20-12-10-18-36(38)25-27-40(45)50(42)6;/h1,10-13,18-21,23-30,33H,8-9,14-17,22,31-32H2,2-6H3;1H |
| InChIKey | BEKYZMBPLUHVRG-UHFFFAOYSA-N |
| Solubility | soluble in organic solvents (DMSO, DMF, dichloromethane), low solubility in water |
| Appearance | dark green powder |
| ε, L⋅mol-1⋅cm-1 | 223000 |
| Excitation | 788 |
| Emission | 808 |
| 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. |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 10 |
| Exact Mass | 721.3798910 g/mol |
| Monoisotopic Mass | 721.3798910 g/mol |
| Topological Polar Surface Area | 35.4Ų |
| Heavy Atom Count | 53 |
| Formal Charge | 0 |
| Complexity | 1530 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 3 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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