![(5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione structure](/static/products/858/858746-90-4.png)
(5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione
TL;DR: (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione (CAS 858746-90-4) is a chemical compound with molecular formula C26H28N4O6 and molecular weight 492.20 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-(2-phenylethyl)pyrimidine-2,4-dione
Also Known As: (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione, (Z)-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-1-phenethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-phenethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C26H28N4O6 |
|---|---|
| Molecular Weight | 492.20 g/mol |
| LogP | 1.8703 |
| Topological Polar Surface Area | 118.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.2009 |
| Heavy Atoms | 36 |
| Complexity | 1412.6575 |
Chemical Identifiers
| CAS Number | 858746-90-4 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1CN=CC4=C(N(C(=O)NC4=O)CCC5=CC=CC=C5)O)OC)OCO3 |
Product Overview
(5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione (CAS 858746-90-4), with molecular formula C26H28N4O6 and molecular weight 492.20 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-(2-phenylethyl)pyrimidine-2,4-dione.
Chemical Property Profile of (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione
Property Insights of (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione
The XLogP value of 1.8703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione. The TPSA of 118.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,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 (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione?
The CAS number of (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione is 858746-90-4.
What is the molecular formula of (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione?
The molecular formula of (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione is C26H28N4O6.
What is the molecular weight of (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione?
The molecular weight of (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione is 492.20 g/mol.
Where can I buy (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione?
You can request a quote for (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-6-hydroxy-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.