3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1)
TL;DR: 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1) (CAS 74398-70-2) is a chemical compound with molecular formula C25H30N3O4S- and molecular weight 468.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile sulfate
Also Known As: 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1), 3-[ethyl-[3-methyl-4-[(E)-2-(1,3,3-trimethylindol-2-yl)ethenyl]phenyl]amino]propanenitrile Sulfate, 3-[N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile sulfate, 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino] -2-methylphenyl]ethenyl]-1,3,3-trimethyl -, sulfate (1:1), 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, sulfate (1:1)
| Molecular Formula | C25H30N3O4S- |
|---|---|
| Molecular Weight | 468.20 g/mol |
| LogP | 4.1164 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.1957 |
| Heavy Atoms | 33 |
| Complexity | 1200.3981 |
Chemical Identifiers
| CAS Number | 74398-70-2 |
|---|---|
| SMILES | CCN(CCC#N)C1=CC(=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C)C.[O-]S(=O)(=O)[O-] |
Product Overview
3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1) (CAS 74398-70-2), with molecular formula C25H30N3O4S- and molecular weight 468.20 g/mol. IUPAC: 3-[N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile sulfate.
Chemical Property Profile of 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1)
Property Insights of 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1)
The XLogP value of 4.1164 indicates that 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1). Following Lipinski's Rule of Five, 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1)?
The CAS number of 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1) is 74398-70-2.
What is the molecular formula of 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1)?
The molecular formula of 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1) is C25H30N3O4S-.
What is the molecular weight of 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1)?
The molecular weight of 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1) is 468.20 g/mol.
Where can I buy 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1)?
You can request a quote for 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.