1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate
TL;DR: 1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate (CAS 127274-91-3) is a chemical compound with molecular formula C59H97ClN2O4 and molecular weight 932.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-octadecylindole perchlorate
Also Known As: DiD perchlorate, DiI perchlorate, DiIC18(3), 1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate, DII
| Molecular Formula | C59H97ClN2O4 |
|---|---|
| Molecular Weight | 932.71 g/mol |
| LogP | 14.0677 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 36 |
| Exact Mass | 932.7137 |
| Heavy Atoms | 66 |
| Complexity | 1667.5807 |
Chemical Identifiers
| CAS Number | 127274-91-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCCCC)(C)C.[O-]Cl(=O)(=O)=O |
Product Overview
1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate (CAS 127274-91-3), with molecular formula C59H97ClN2O4 and molecular weight 932.71 g/mol. IUPAC: 2-[3-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-octadecylindole perchlorate.
Chemical Property Profile of 1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate
Property Insights of 1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate
The XLogP value of 14.0677 indicates that 1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate. Following Lipinski's Rule of Five, 1,1'-Di-n-octadecyl-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'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate?
The CAS number of 1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate is 127274-91-3.
What is the molecular formula of 1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate?
The molecular formula of 1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate is C59H97ClN2O4.
What is the molecular weight of 1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate?
The molecular weight of 1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate is 932.71 g/mol.
Where can I buy 1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate?
You can request a quote for 1,1'-Di-n-octadecyl-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'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.