![1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol structure](/static/products/858/858737-47-0.png)
1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol
TL;DR: 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol (CAS 858737-47-0) is a chemical compound with molecular formula C24H31NO4 and molecular weight 397.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
Also Known As: 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol, 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-[4-(2-methylpropyl)phenyl]ethanol, 2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
| Molecular Formula | C24H31NO4 |
|---|---|
| Molecular Weight | 397.23 g/mol |
| LogP | 4.2751 |
| Topological Polar Surface Area | 51.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.2253 |
| Heavy Atoms | 29 |
| Complexity | 862.1746 |
Chemical Identifiers
| CAS Number | 858737-47-0 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(CC2C3=C(C4=C(C=C3CCN2C)OCO4)OC)O |
Product Overview
1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol (CAS 858737-47-0), with molecular formula C24H31NO4 and molecular weight 397.23 g/mol. IUPAC: 2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-[4-(2-methylpropyl)phenyl]ethanol.
Chemical Property Profile of 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol
Property Insights of 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol
The XLogP value of 4.2751 indicates that 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.16 Ų, 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol has 1 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 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol?
The CAS number of 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol is 858737-47-0.
What is the molecular formula of 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol?
The molecular formula of 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol is C24H31NO4.
What is the molecular weight of 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol?
The molecular weight of 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol is 397.23 g/mol.
Where can I buy 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol?
You can request a quote for 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-isobutylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.