![(E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine structure](/static/products/858/858744-89-5.png)
(E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine
TL;DR: (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine (CAS 858744-89-5) is a chemical compound with molecular formula C24H26N2O6 and molecular weight 438.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[[3-ethoxy-4-[3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-ynoxy]phenyl]methylidene]hydroxylamine
Also Known As: (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine, (E)-3-ethoxy-4-((3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)oxy)benzaldehyde oxime
| Molecular Formula | C24H26N2O6 |
|---|---|
| Molecular Weight | 438.18 g/mol |
| LogP | 3.2421 |
| Topological Polar Surface Area | 81.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.17908 |
| Heavy Atoms | 32 |
| Complexity | 1072.3799 |
Chemical Identifiers
| CAS Number | 858744-89-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=N/O)OCC#CC2C3=C(C4=C(C=C3CCN2C)OCO4)OC |
Product Overview
(E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine (CAS 858744-89-5), with molecular formula C24H26N2O6 and molecular weight 438.18 g/mol. IUPAC: (NE)-N-[[3-ethoxy-4-[3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-ynoxy]phenyl]methylidene]hydroxylamine.
Chemical Property Profile of (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine
Property Insights of (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine
The XLogP value of 3.2421 indicates that (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine. Following Lipinski's Rule of Five, (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine has 1 hydrogen bond donor(s) and 8 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 (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine?
The CAS number of (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine is 858744-89-5.
What is the molecular formula of (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine?
The molecular formula of (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine is C24H26N2O6.
What is the molecular weight of (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine?
The molecular weight of (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine is 438.18 g/mol.
Where can I buy (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine?
You can request a quote for (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.