![4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one structure](/static/products/400/400782-63-0.png)
4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one
TL;DR: 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one (CAS 400782-63-0) is a chemical compound with molecular formula C21H24N2O5 and molecular weight 384.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-pyridin-2-ylbutan-2-one
Also Known As: 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one, 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one, 4-hydroxy-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-pyridin-2-ylbutan-2-one
| Molecular Formula | C21H24N2O5 |
|---|---|
| Molecular Weight | 384.17 g/mol |
| LogP | 2.4308 |
| Topological Polar Surface Area | 81.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.16852 |
| Heavy Atoms | 28 |
| Complexity | 870.84485 |
Chemical Identifiers
| CAS Number | 400782-63-0 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1CC(=O)CC(C4=CC=CC=N4)O)OC)OCO3 |
Product Overview
4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one (CAS 400782-63-0), with molecular formula C21H24N2O5 and molecular weight 384.17 g/mol. IUPAC: 4-hydroxy-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-pyridin-2-ylbutan-2-one.
Chemical Property Profile of 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one
Property Insights of 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one
The XLogP value of 2.4308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one. The TPSA of 81.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one. Following Lipinski's Rule of Five, 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one 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-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one?
The CAS number of 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one is 400782-63-0.
What is the molecular formula of 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one?
The molecular formula of 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one is C21H24N2O5.
What is the molecular weight of 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one?
The molecular weight of 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one is 384.17 g/mol.
Where can I buy 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one?
You can request a quote for 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(pyridin-2-yl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.