![2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium structure](/static/products/6827/6827-93-6.webp)
2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium
TL;DR: 2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium (CAS 6827-93-6) is a chemical compound with molecular formula C26H34N3O5+ and molecular weight 468.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carbonyl]amino]ethyl-diethylazanium
Also Known As: 2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium, 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-isoquinoline-4-carbonyl]amino]ethyl-diethyl-azanium, 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carbonyl]amino]ethyl-diethylazanium, 2-[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamido]-N,N-diethylethan-1-aminium
| Molecular Formula | C26H34N3O5+ |
|---|---|
| Molecular Weight | 468.25 g/mol |
| LogP | 2.0611 |
| Topological Polar Surface Area | 83.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 468.24985 |
| Heavy Atoms | 34 |
| Complexity | 1183.7457 |
Chemical Identifiers
| CAS Number | 6827-93-6 |
|---|---|
| SMILES | CC[NH+](CC)CCNC(=O)C1=CN(C(=O)C2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)OCC |
Product Overview
2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium (CAS 6827-93-6), with molecular formula C26H34N3O5+ and molecular weight 468.25 g/mol. IUPAC: 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carbonyl]amino]ethyl-diethylazanium.
Chemical Property Profile of 2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium
Property Insights of 2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium
The XLogP value of 2.0611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium. The TPSA of 83.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium. Following Lipinski's Rule of Five, 2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium has 2 hydrogen bond donor(s) and 5 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-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium?
The CAS number of 2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium is 6827-93-6.
What is the molecular formula of 2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium?
The molecular formula of 2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium is C26H34N3O5+.
What is the molecular weight of 2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium?
The molecular weight of 2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium is 468.25 g/mol.
Where can I buy 2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium?
You can request a quote for 2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium 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-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(4-Ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-N,N-diethylethan-1-aminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.