![3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one structure](/static/products/119/1190239-64-5.png)
3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1190239-64-5) is a chemical compound with molecular formula C22H29N3O5S and molecular weight 447.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 1-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-sulfanylidenepyrimidin-4-one
| Molecular Formula | C22H29N3O5S |
|---|---|
| Molecular Weight | 447.18 g/mol |
| LogP | 3.50639 |
| Topological Polar Surface Area | 88.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.1828 |
| Heavy Atoms | 31 |
| Complexity | 1094.0198 |
Chemical Identifiers
| CAS Number | 1190239-64-5 |
|---|---|
| SMILES | CCCCCCN1C(=C(C(=O)NC1=S)C2C3=C(C4=C(C=C3CCN2C)OCO4)OC)O |
Product Overview
3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1190239-64-5), with molecular formula C22H29N3O5S and molecular weight 447.18 g/mol. IUPAC: 1-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 3.50639 indicates that 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one 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 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1190239-64-5.
What is the molecular formula of 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C22H29N3O5S.
What is the molecular weight of 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 447.18 g/mol.
Where can I buy 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.