1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine
TL;DR: 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine (CAS 40957-95-7) is a chemical compound with molecular formula C59H97N2+ and molecular weight 833.77 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
Also Known As: DiI cpd, 1,1'-Dotic, Diic(18), 3,3'-Dioctadecylindocarbocyanine, 3,3'-Dii
| Molecular Formula | C59H97N2+ |
|---|---|
| Molecular Weight | 833.77 g/mol |
| LogP | 23.2 |
| Topological Polar Surface Area | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 36 |
| Exact Mass | 833.7652 |
| Heavy Atoms | 61 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 40957-95-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCCCC)(C)C |
| InChIKey | IJRJBQGVWNVZSA-UHFFFAOYSA-N |
Product Overview
1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine (CAS 40957-95-7), with molecular formula C59H97N2+ and molecular weight 833.77 g/mol. IUPAC: 2-[3-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-octadecylindole.
Chemical Property Profile of 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine
Property Insights of 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine
The XLogP value of 23.2 indicates that 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine 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'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine has 0 hydrogen bond donor(s) and 1 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'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine?
The CAS number of 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine is 40957-95-7.
What is the molecular formula of 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine?
The molecular formula of 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine is C59H97N2+.
What is the molecular weight of 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine?
The molecular weight of 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine is 833.77 g/mol.
Where can I buy 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine?
You can request a quote for 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.