Cyanine7.5 alkyne

Name: Cyanine7.5 alkyne
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	R02-0025
Category	Cyanine7.5
Molecular Formula	C48H52ClN3O
Molecular Weight	722.40

Catalog Number	Size	Price	Quantity
R02-0025	--	$--

INQUIRY

* Please be kindly noted products are not for therapeutic use. We do not sell to patients.

Worldwide Delivery
Quality Assurance
24/7 Customer Service

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

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
InChI Key	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.

Computed Properties
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	35.4Å²
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