1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide
TL;DR: 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide (CAS 132752-00-2) is a chemical compound with molecular formula C31H41IN2 and molecular weight 568.23145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-1-butyl-2-[(E)-3-(1-butyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole iodide
Also Known As: DiIC4(3), DILC4(3), 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide, (2Z)-1-Butyl-2-[(E)-3-(1-butyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;iodide, 1,1'-DIBUTYL-3,3,3',3'-TETRAMETHYLINDOCARBOCYANINEIODIDE
Technical Specifications
| Molecular Formula | C31H41IN2 |
| Molecular Weight | 568.23145 g/mol |
| XLogP | 4.9049 |
| Topological Polar Surface Area (TPSA) | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 568.23145 Da |
| Heavy Atoms | 34 |
| Complexity | 706.0 |
| SMILES | CCCCN\1C2=CC=CC=C2C(/C1=C/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)CCCC)(C)C.[I-] |
| InChIKey | CVTQMCMIKOZBTI-UHFFFAOYSA-M |
Chemical Property Profile of 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide
Property Insights of 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide
The XLogP value of 4.9049 indicates that 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.3 Ų, 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide?
The CAS number of 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide is 132752-00-2.
What is the molecular formula of 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide?
The molecular formula of 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide is C31H41IN2.
What is the molecular weight of 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide?
The molecular weight of 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide is 568.23145 g/mol.
Where can I buy 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide?
You can request a quote for 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide?
Yes, CoreyChem provides custom synthesis services for 1,1'-Dibutyl-3,3,3',3'-tetramethylindocarbocyanine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.