Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester
TL;DR: Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester (CAS 84905-59-9) is a chemical compound with molecular formula C31H43N4O9S+ and molecular weight 647.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethoxycarbonyl-5-[[2-ethoxycarbonyl-3-[(trimethylazaniumyl)methyl]-1H-indol-5-yl]oxy]-1H-indol-3-yl]methyl-trimethylazanium;methyl sulfate
Also Known As: Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester, 2,2'-Diethoxycarbonyl-3,3'-bis(dimethylaminomethyl)bis-(5-indolyl) oxide dimethosulfate, 1H-Indole-3-methanaminium, 5,5'-oxybis(2-(ethoxycarbonyl)-N,N,N-trimethyl-, bis(methylsulfate), [2-ethoxycarbonyl-5-[[2-ethoxycarbonyl-3-[(trimethylazaniumyl)methyl]-1H-indol-5-yl]oxy]-1H-indol-3-yl]methyl-trimethylazanium; methyl sulfate, RefChem:319442
| Molecular Formula | C31H43N4O9S+ |
|---|---|
| Molecular Weight | 647.28 g/mol |
| LogP | 4.3003 |
| Topological Polar Surface Area | 159.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 647.2751 |
| Heavy Atoms | 45 |
| Complexity | 1664.404 |
Chemical Identifiers
| CAS Number | 84905-59-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC3=CC4=C(C=C3)NC(=C4C[N+](C)(C)C)C(=O)OCC)C[N+](C)(C)C.COS(=O)(=O)[O-] |
Product Overview
Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester (CAS 84905-59-9), with molecular formula C31H43N4O9S+ and molecular weight 647.28 g/mol. IUPAC: [2-ethoxycarbonyl-5-[[2-ethoxycarbonyl-3-[(trimethylazaniumyl)methyl]-1H-indol-5-yl]oxy]-1H-indol-3-yl]methyl-trimethylazanium;methyl sulfate.
Chemical Property Profile of Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester
Property Insights of Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester
The XLogP value of 4.3003 indicates that Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.84 Ų indicates high polarity, suggesting Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester 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 Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester?
The CAS number of Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester is 84905-59-9.
What is the molecular formula of Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester?
The molecular formula of Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester is C31H43N4O9S+.
What is the molecular weight of Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester?
The molecular weight of Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester is 647.28 g/mol.
Where can I buy Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester?
You can request a quote for Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, oxybis((2-carboxy-5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate), diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.