Sulfo-Cyanine7 amine

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Sulfo-Cyanine7 amine

Sulfo-Cyanine7 amine | 2236573-39-8

Catalog Number F03-0013
Category sulfo-Cyanine7
Molecular Formula C43H58N4O7S2
Molecular Weight 807.07
Catalog Number Size Price Quantity
F03-0013 -- $--

Product Introduction

Sulfonated, water-soluble, amino derivative of Cyanine7 NIR dye. This NIR dye amine can be used for the derivatization of various targets by the reaction with electrophilic groups, and also by enzymatical reactions involving transamination.

Chemical Information

Synonyms 1-[6-(6-azaniumylhexylamino)-6-oxohexyl]-3,3-dimethyl-2-[2-[3-[2-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole-5-sulfonate
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 1-[6-(6-azaniumylhexylamino)-6-oxohexyl]-3,3-dimethyl-2-[2-[3-[2-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole-5-sulfonate
Canonical SMILES CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC3=CC(=CC=C4C(C5=C(N4CCCCCC(=O)NCCCCCC[NH3+])C=CC(=C5)S(=O)(=O)[O-])(C)C)CCC3)C)C
InChI InChI=1S/C43H58N4O7S2/c1-42(2)35-29-33(55(49,50)51)19-21-37(35)46(5)39(42)23-17-31-14-13-15-32(28-31)18-24-40-43(3,4)36-30-34(56(52,53)54)20-22-38(36)47(40)27-12-8-9-16-41(48)45-26-11-7-6-10-25-44/h17-24,28-30H,6-16,25-27,44H2,1-5H3,(H2-,45,48,49,50,51,52,53,54)
InChI Key KMPXHFWUNXBKET-UHFFFAOYSA-N
Solubility very poorly soluble in water (0.50 mM = 40 mg/L), good in DMF, DMSO
Appearance dark green powder
Melting Point priceinfo
  • Product Specification
ε, L⋅mol-1⋅cm-1 240600
Excitation 750
Emission 773
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.

Computed Properties

XLogP3 2.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 15
Exact Mass 806.37469255 g/mol
Monoisotopic Mass 806.37469255 g/mol
Topological Polar Surface Area 194Ų
Heavy Atom Count 56
Formal Charge 0
Complexity 1760
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 1
Compound Is Canonicalized Yes
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