![1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium structure](/static/products/146/146368-16-3.png)
1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium
TL;DR: 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium (CAS 146368-16-3) is a chemical compound with molecular formula C35H42N3O10S2+ and molecular weight 728.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid
Also Known As: 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium, 2-[(1E)-3-[(2E)-1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfoindol-2-ylidene]prop-1-en-1-yl]-1-ethyl-3,3-dimethyl-5-sulfoindol-1-ium, 2-[3-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfoindol-2-ylidene)prop-1-en-1-yl]-1-ethyl-3,3-dimethyl-5-sulfoindol-1-ium, 2-[3-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid, 6-[2-[3-[[1-Ethyl-3,3-dimethyl-5-(oxylatosulfonyl)-3H-indole-1-ium]-2-yl]-2-propenylidene]-3,3-dimethyl-5-(oxylatosulfonyl)-2,3-dihydro-1H-indole-1-yl]hexanoic acid succinimidyl ester
| Molecular Formula | C35H42N3O10S2+ |
|---|---|
| Molecular Weight | 728.23 g/mol |
| LogP | 4.9816 |
| Topological Polar Surface Area | 178.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 728.23114 |
| Heavy Atoms | 50 |
| Complexity | 2063.597 |
Chemical Identifiers
| CAS Number | 146368-16-3 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)S(=O)(=O)O)C(C1=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)CCCCCC(=O)ON5C(=O)CCC5=O)(C)C |
Product Overview
1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium (CAS 146368-16-3), with molecular formula C35H42N3O10S2+ and molecular weight 728.23 g/mol. IUPAC: 2-[3-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid.
Chemical Property Profile of 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium
Property Insights of 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium
The XLogP value of 4.9816 indicates that 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.67 Ų indicates high polarity, suggesting 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium?
The CAS number of 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium is 146368-16-3.
What is the molecular formula of 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium?
The molecular formula of 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium is C35H42N3O10S2+.
What is the molecular weight of 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium?
The molecular weight of 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium is 728.23 g/mol.
Where can I buy 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium?
You can request a quote for 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexyl]-2-[3-(1-ethyl-3,3-dimethyl-5-sulfoindoline-2-ylidene)-1-propenyl]-3,3-dimethyl-5-sulfo-3H-indole-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.