![1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium structure](/static/products/146/146368-14-1.webp)
1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium
TL;DR: 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium (CAS 146368-14-1) is a chemical compound with molecular formula C37H44N3O10S2+ and molecular weight 754.2468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid
Also Known As: 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium, 2-[(1E,3E)-5-[(2E)-1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dien-1-yl]-1-ethyl-3,3-dimethyl-5-sulfoindol-1-ium, 2-[(1E,3E)-5-[(2Z)-1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dien-1-yl]-1-ethyl-3,3-dimethyl-5-sulfoindol-1-ium, 2-[5-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfoindol-2-ylidene)penta-1,3-dien-1-yl]-1-ethyl-3,3-dimethyl-5-sulfoindol-1-ium, 2-[5-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid
Technical Specifications
| Molecular Formula | C37H44N3O10S2+ |
| Molecular Weight | 754.2468 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 195.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 754.2468 Da |
| Heavy Atoms | 52 |
| Complexity | 1730.0 |
| SMILES | CCN1C2=C(C=C(C=C2)S(=O)(=O)O)C(C1=CC=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)CCCCCC(=O)ON5C(=O)CCC5=O)(C)C |
| InChIKey | WXWLHDCCGVWTDZ-UHFFFAOYSA-O |
Chemical Property Profile of 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium
Property Insights of 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium
The XLogP value of 4.1 indicates that 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.0 Ų indicates high polarity, suggesting 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium?
The CAS number of 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium is 146368-14-1.
What is the molecular formula of 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium?
The molecular formula of 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium is C37H44N3O10S2+.
What is the molecular weight of 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium?
The molecular weight of 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium is 754.2468 g/mol.
Where can I buy 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium?
You can request a quote for 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium?
Yes, CoreyChem provides custom synthesis services for 1-[5-[(2,5-Dioxopyrrolizinooxy)carbonyl]pentyl]-2-[(1E,3E)-5-[(E)-1-ethyl-3,3-dimethyl-5-sulfo-1H-indol-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.