3-NBD-C12 Cholesterol | CAS 186833-02-3

Catalog Number	A16-0090
Category	Lipid Fluorescent Probes
Molecular Formula	C45H70N4O5
Molecular Weight	747.06

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Product Introduction

3-NBD-C12 Cholesterol is a fluorescent cholesterol analog featuring a nitrobenzoxadiazole (NBD) fluorophore, allowing for visualization in lipid research. This compound incorporates a C12 alkyl chain, enabling its integration into lipid membranes and facilitating studies of cholesterol distribution and dynamics. Its fluorescence emission properties, characterized by a green fluorescence, make it suitable for use in fluorescence microscopy and membrane trafficking assays, providing insights into the behavior of cholesterol within biological systems.

Chemical Information
Product Specification
Computed Properties

Chemical Information

IUPAC Name	[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoate
SMILES	CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCCCCCCCCCCN(C)C5=CC=C(C6=NON=C56)[N+](=O)[O-])C)C
InChI	InChI=1S/C46H72N4O5/c1-32(2)17-16-18-33(3)37-22-23-38-36-21-20-34-31-35(26-28-45(34,4)39(36)27-29-46(37,38)5)54-42(51)19-14-12-10-8-7-9-11-13-15-30-49(6)40-24-25-41(50(52)53)44-43(40)47-55-48-44/h20,24-25,32-33,35-39H,7-19,21-23,26-31H2,1-6H3/t33-,35+,36+,37-,38+,39+,45+,46-/m1/s1
InChIKey	MKEQHMRXIADXQQ-KLHFYLHASA-N
Appearance	Solid Powder

Product Specification

Excitation	465 nm
Emission	536 nm

Computed Properties

XLogP3	14.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	20
Exact Mass	760.55027141 g/mol
Monoisotopic Mass	760.55027141 g/mol
Topological Polar Surface Area	114Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	1290
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes