![4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline structure](/static/products/708/708296-16-6.png)
4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
TL;DR: 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (CAS 708296-16-6) is a chemical compound with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-6-methyl-5-[3-(4-nitrophenoxy)prop-1-ynyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline, 4-methoxy-6-methyl-5-[3-(4-nitrophenoxy)prop-1-yn-1-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline, 4-methoxy-6-methyl-5-[3-(4-nitrophenoxy)prop-1-ynyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
| Molecular Formula | C21H20N2O6 |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 2.9435 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.13214 |
| Heavy Atoms | 29 |
| Complexity | 992.95654 |
Chemical Identifiers
| CAS Number | 708296-16-6 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1C#CCOC4=CC=C(C=C4)[N+](=O)[O-])OC)OCO3 |
Product Overview
4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (CAS 708296-16-6), with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol. IUPAC: 4-methoxy-6-methyl-5-[3-(4-nitrophenoxy)prop-1-ynyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.
Chemical Property Profile of 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
Property Insights of 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
The XLogP value of 2.9435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline. Following Lipinski's Rule of Five, 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline has 0 hydrogen bond donor(s) and 7 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 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The CAS number of 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is 708296-16-6.
What is the molecular formula of 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The molecular formula of 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is C21H20N2O6.
What is the molecular weight of 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The molecular weight of 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is 396.13 g/mol.
Where can I buy 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
You can request a quote for 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-6-methyl-5-(3-(4-nitrophenoxy)prop-1-yn-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.