![6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one structure](/static/products/118/1185100-86-0.png)
6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1185100-86-0) is a chemical compound with molecular formula C23H23N3O5S and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-sulfanylidenepyrimidin-4-one
| Molecular Formula | C23H23N3O5S |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 2.92569 |
| Topological Polar Surface Area | 78.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.13583 |
| Heavy Atoms | 32 |
| Complexity | 1332.4292 |
Chemical Identifiers
| CAS Number | 1185100-86-0 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1C4=C(N(C(=S)N(C4=O)C5=CC=CC=C5)C)O)OC)OCO3 |
Product Overview
6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1185100-86-0), with molecular formula C23H23N3O5S and molecular weight 453.14 g/mol. IUPAC: 6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 2.92569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 78.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-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 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1185100-86-0.
What is the molecular formula of 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C23H23N3O5S.
What is the molecular weight of 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 453.14 g/mol.
Where can I buy 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-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 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-3-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.