Cyanine7.5 NHS ester

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Cyanine7.5 NHS ester

Cyanine7.5 NHS ester

Catelog Number R01-0023
Category NHS Esters
Molecular Formula C49H52N3BF4O4
Molecular Weight 833.76
Catalog Number Size Price Quantity
R01-0023 -- $--

Product Introduction

Cyanine7.5 is a NIR dye with very long-wave emission. This product is amine-reactive derivative of this fluorophore.Near infrared radiation readily penetrates tissues and can be used for imaging applications in vivo.

Chemical Information

Related CAS 1469278-04-3 (chloride) 1469541-54-5 (without anion)
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 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]hexanoate;trifluoroborane;fluoride
Canonical SMILES B(F)(F)F.CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=CC(=CC=C5C(C6=C(N5CCCCCC(=O)ON7C(=O)CCC7=O)C=CC8=CC=CC=C86)(C)C)CCC4)C.[F-]
InChI InChI=1S/C49H52N3O4.BF3.FH/c1-48(2)41(50(5)39-25-23-35-16-8-10-18-37(35)46(39)48)27-21-33-14-13-15-34(32-33)22-28-42-49(3,4)47-38-19-11-9-17-36(38)24-26-40(47)51(42)31-12-6-7-20-45(55)56-52-43(53)29-30-44(52)54;2-1(3)4;/h8-11,16-19,21-28,32H,6-7,12-15,20,29-31H2,1-5H3;;1H/q+1;;/p-1
InChI Key ANRJFLVNIGGDJE-UHFFFAOYSA-M
Solubility soluble in organic solvents (DMSO, DMF, dichloromethane), low solubility in water
Appearance green powder

Product Specification

ε, L⋅mol-1⋅cm-1 223000
Excitation 788
Emission 808
Storage 12 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate.

Computed Properties

Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 11
Exact Mass 833.3987000 g/mol
Monoisotopic Mass 833.3987000 g/mol
Topological Polar Surface Area 69.9Ų
Heavy Atom Count 61
Formal Charge 0
Complexity 1690
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 3
Compound Is Canonicalized Yes
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