![(E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/858/858769-34-3.png)
(E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 858769-34-3) is a chemical compound with molecular formula C19H22N4O5S and molecular weight 418.13 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)methyliminomethyl]-1-methyl-2-sulfanylidenepyrimidin-4-one
Also Known As: (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C19H22N4O5S |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 1.53389 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.1311 |
| Heavy Atoms | 29 |
| Complexity | 1107.2441 |
Chemical Identifiers
| CAS Number | 858769-34-3 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1CN=CC4=C(N(C(=S)NC4=O)C)O)OC)OCO3 |
Product Overview
(E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 858769-34-3), with molecular formula C19H22N4O5S and molecular weight 418.13 g/mol. IUPAC: 6-hydroxy-5-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyliminomethyl]-1-methyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.53389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 2 hydrogen bond donor(s) and 8 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 (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 858769-34-3.
What is the molecular formula of (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C19H22N4O5S.
What is the molecular weight of (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 418.13 g/mol.
Where can I buy (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.