![4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol structure](/static/products/858/858739-10-3.png)
4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol
TL;DR: 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol (CAS 858739-10-3) is a chemical compound with molecular formula C23H27NO6 and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol
Also Known As: 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol, 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol, 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol
| Molecular Formula | C23H27NO6 |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 3.0654 |
| Topological Polar Surface Area | 69.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.18384 |
| Heavy Atoms | 30 |
| Complexity | 945.77594 |
Chemical Identifiers
| CAS Number | 858739-10-3 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1CC(CCC4=CC5=C(C=C4)OCO5)O)OC)OCO3 |
Product Overview
4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol (CAS 858739-10-3), with molecular formula C23H27NO6 and molecular weight 413.18 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol.
Chemical Property Profile of 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol
Property Insights of 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol
The XLogP value of 3.0654 indicates that 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol. Following Lipinski's Rule of Five, 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol has 1 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-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol?
The CAS number of 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol is 858739-10-3.
What is the molecular formula of 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol?
The molecular formula of 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol is C23H27NO6.
What is the molecular weight of 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol?
The molecular weight of 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol is 413.18 g/mol.
Where can I buy 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol?
You can request a quote for 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.