5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
TL;DR: 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 1189912-68-2) is a chemical compound with molecular formula C23H22N4O7 and molecular weight 466.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
Also Known As: 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione, 5-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl]-6-hydroxy-1H-pyrimidine-2,4-dione, 5-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C23H22N4O7 |
|---|---|
| Molecular Weight | 466.15 g/mol |
| LogP | 2.2616 |
| Topological Polar Surface Area | 159.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.14883 |
| Heavy Atoms | 34 |
| Complexity | 1407.1581 |
Chemical Identifiers
| CAS Number | 1189912-68-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN=C2CC(C3=CC=CC=C3[N+](=O)[O-])C4=C(NC(=O)NC4=O)O)OC |
Product Overview
5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 1189912-68-2), with molecular formula C23H22N4O7 and molecular weight 466.15 g/mol. IUPAC: 5-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Property Insights of 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.2616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. The TPSA of 159.91 Ų indicates high polarity, suggesting 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione has 3 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 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 1189912-68-2.
What is the molecular formula of 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is C23H22N4O7.
What is the molecular weight of 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 466.15 g/mol.
Where can I buy 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.