![(5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/858/858742-82-2.png)
(5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 858742-82-2) is a chemical compound with molecular formula C24H23FN4O6 and molecular weight 482.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-6-hydroxy-5-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyliminomethyl]pyrimidine-2,4-dione
Also Known As: (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(4-fluorophenyl)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1,3-diazinane-2,4,6-trione, (E)-1-(4-fluorophenyl)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-fluorophenyl)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C24H23FN4O6 |
|---|---|
| Molecular Weight | 482.16 g/mol |
| LogP | 1.7559 |
| Topological Polar Surface Area | 118.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.16016 |
| Heavy Atoms | 35 |
| Complexity | 1429.8976 |
Chemical Identifiers
| CAS Number | 858742-82-2 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1CN=CC4=C(N(C(=O)NC4=O)C5=CC=C(C=C5)F)O)OC)OCO3 |
Product Overview
(5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 858742-82-2), with molecular formula C24H23FN4O6 and molecular weight 482.16 g/mol. IUPAC: 1-(4-fluorophenyl)-6-hydroxy-5-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyliminomethyl]pyrimidine-2,4-dione.
Chemical Property Profile of (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 1.7559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 118.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione 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 (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 858742-82-2.
What is the molecular formula of (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C24H23FN4O6.
What is the molecular weight of (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 482.16 g/mol.
Where can I buy (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.