![1-(4-bromophenyl)-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/118/1184997-29-2.webp)
1-(4-bromophenyl)-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: 1-(4-bromophenyl)-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 1184997-29-2) is a chemical compound with molecular formula C22H20BrN3O5S and molecular weight 517.0307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromophenyl)-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: 1-(4-bromophenyl)-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-(4-bromophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-sulfanylidenepyrimidin-4-one
Technical Specifications
| Molecular Formula | C22H20BrN3O5S |
| Molecular Weight | 517.0307 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 517.0307 Da |
| Heavy Atoms | 32 |
| Complexity | 804.0 |
| SMILES | CN1CCC2=CC3=C(C(=C2C1C4=C(N(C(=S)NC4=O)C5=CC=C(C=C5)Br)O)OC)OCO3 |
| InChIKey | FSHLQKDWELAEDK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-bromophenyl)-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 1-(4-bromophenyl)-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 3.3 indicates that 1-(4-bromophenyl)-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 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-bromophenyl)-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, 1-(4-bromophenyl)-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-(4-bromophenyl)-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 1-(4-bromophenyl)-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 1184997-29-2.
What is the molecular formula of 1-(4-bromophenyl)-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 1-(4-bromophenyl)-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 C22H20BrN3O5S.
What is the molecular weight of 1-(4-bromophenyl)-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 1-(4-bromophenyl)-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 517.0307 g/mol.
Where can I buy 1-(4-bromophenyl)-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 1-(4-bromophenyl)-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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-bromophenyl)-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, CoreyChem provides custom synthesis services for 1-(4-bromophenyl)-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.