![1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone structure](/static/products/858/858744-84-0.png)
1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone
TL;DR: 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone (CAS 858744-84-0) is a chemical compound with molecular formula C20H21NO6 and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,6-dihydroxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl]ethanone
Also Known As: 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone, 1-[2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl]ethanone, 1-[2,6-dihydroxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl]ethanone
| Molecular Formula | C20H21NO6 |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 2.615 |
| Topological Polar Surface Area | 88.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.1369 |
| Heavy Atoms | 27 |
| Complexity | 938.7997 |
Chemical Identifiers
| CAS Number | 858744-84-0 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1O)C2C3=C(C4=C(C=C3CCN2C)OCO4)OC)O |
Product Overview
1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone (CAS 858744-84-0), with molecular formula C20H21NO6 and molecular weight 371.14 g/mol. IUPAC: 1-[2,6-dihydroxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl]ethanone.
Chemical Property Profile of 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone
Property Insights of 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone
The XLogP value of 2.615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone. The TPSA of 88.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone. Following Lipinski's Rule of Five, 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone has 2 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 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone?
The CAS number of 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone is 858744-84-0.
What is the molecular formula of 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone?
The molecular formula of 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone is C20H21NO6.
What is the molecular weight of 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone?
The molecular weight of 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone is 371.14 g/mol.
Where can I buy 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone?
You can request a quote for 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-dihydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.