1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate
TL;DR: 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate (CAS 84109-08-0) is a chemical compound with molecular formula C47H73ClN2O4 and molecular weight 764.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dodecyl-2-[3-(1-dodecyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole perchlorate
Also Known As: DilC12(3) (iodide), Diic(12), Carbocyanine dye diic12(3), 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate, 1-Dodecyl-2-[3-(1-dodecyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;perchlorate
| Molecular Formula | C47H73ClN2O4 |
|---|---|
| Molecular Weight | 764.53 g/mol |
| LogP | 9.3865 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 24 |
| Exact Mass | 764.5259 |
| Heavy Atoms | 54 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 84109-08-0 |
|---|---|
| SMILES | CCCCCCCCCCCCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCC)(C)C.[O-]Cl(=O)(=O)=O |
| InChIKey | MPVFAUXPXHGRPQ-UHFFFAOYSA-M |
Product Overview
1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate (CAS 84109-08-0), with molecular formula C47H73ClN2O4 and molecular weight 764.53 g/mol. IUPAC: 1-dodecyl-2-[3-(1-dodecyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole perchlorate.
Chemical Property Profile of 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate
Property Insights of 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate
The XLogP value of 9.3865 indicates that 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate. Following Lipinski's Rule of Five, 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate?
The CAS number of 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate is 84109-08-0.
What is the molecular formula of 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate?
The molecular formula of 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate is C47H73ClN2O4.
What is the molecular weight of 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate?
The molecular weight of 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate is 764.53 g/mol.
Where can I buy 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate?
You can request a quote for 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.