![2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride structure](/static/products/3407/34074-98-1.webp)
2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride
TL;DR: 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride (CAS 34074-98-1) is a chemical compound with molecular formula C21H25ClN2O and molecular weight 356.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride
Also Known As: 3H-Indolium, 1,3,3-trimethyl-2-(2-p-phenetidinovinyl)-, chloride, 3H-Indolium, 2-[2-[(4-ethoxyphenyl)amino]ethenyl]-1,3,3-trimethyl-, chloride, 2-(2-((4-Ethoxyphenyl)amino)ethenyl)-1,3,3-trimethyl-3H-indolium chloride, 2-[2-[(4-ethoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium chloride, 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride
| Molecular Formula | C21H25ClN2O |
|---|---|
| Molecular Weight | 356.17 g/mol |
| LogP | 1.72 |
| Topological Polar Surface Area | 24.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.16553 |
| Heavy Atoms | 25 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 34074-98-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC=CC2=[N+](C3=CC=CC=C3C2(C)C)C.[Cl-] |
| InChIKey | QUZKWPNQYBRGJT-UHFFFAOYSA-N |
Product Overview
2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride (CAS 34074-98-1), with molecular formula C21H25ClN2O and molecular weight 356.17 g/mol. IUPAC: 4-ethoxy-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride.
Chemical Property Profile of 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride
Property Insights of 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride
The XLogP value of 1.72 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride. With a topological polar surface area (TPSA) of 24.3 Ų, 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride has 1 hydrogen bond donor(s) and 3 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 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride?
The CAS number of 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride is 34074-98-1.
What is the molecular formula of 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride?
The molecular formula of 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride is C21H25ClN2O.
What is the molecular weight of 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride?
The molecular weight of 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride is 356.17 g/mol.
Where can I buy 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride?
You can request a quote for 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.