![1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone structure](/static/products/376/376379-47-4.png)
1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
TL;DR: 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone (CAS 376379-47-4) is a chemical compound with molecular formula C23H25NO5S and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]-2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Also Known As: 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone, 1-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl]-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone, 1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]-2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
| Molecular Formula | C23H25NO5S |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 3.4098 |
| Topological Polar Surface Area | 68.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.14536 |
| Heavy Atoms | 30 |
| Complexity | 1040.3287 |
Chemical Identifiers
| CAS Number | 376379-47-4 |
|---|---|
| SMILES | CC(C)(C#CC1=CC=C(S1)C(=O)CC2C3=C(C4=C(C=C3CCN2C)OCO4)OC)O |
Product Overview
1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone (CAS 376379-47-4), with molecular formula C23H25NO5S and molecular weight 427.15 g/mol. IUPAC: 1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]-2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone.
Chemical Property Profile of 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Property Insights of 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
The XLogP value of 3.4098 indicates that 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone. Following Lipinski's Rule of Five, 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone 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 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone?
The CAS number of 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone is 376379-47-4.
What is the molecular formula of 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone?
The molecular formula of 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone is C23H25NO5S.
What is the molecular weight of 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone?
The molecular weight of 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone is 427.15 g/mol.
Where can I buy 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone?
You can request a quote for 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.