5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
TL;DR: 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione (CAS 899406-47-4) is a chemical compound with molecular formula C25H26N4O7 and molecular weight 494.18 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-1,3-dimethylpyrimidine-2,4-dione
Also Known As: 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, 5-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, 5-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
| Molecular Formula | C25H26N4O7 |
|---|---|
| Molecular Weight | 494.18 g/mol |
| LogP | 2.2824 |
| Topological Polar Surface Area | 138.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.18015 |
| Heavy Atoms | 36 |
| Complexity | 1503.4633 |
Chemical Identifiers
| CAS Number | 899406-47-4 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C(CC2=NCCC3=CC(=C(C=C32)OC)OC)C4=CC=CC=C4[N+](=O)[O-])O |
Product Overview
5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione (CAS 899406-47-4), with molecular formula C25H26N4O7 and molecular weight 494.18 g/mol. IUPAC: 5-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Property Insights of 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.2824 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-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione. The TPSA of 138.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione has 1 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-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione is 899406-47-4.
What is the molecular formula of 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione is C25H26N4O7.
What is the molecular weight of 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione is 494.18 g/mol.
Where can I buy 5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl)-6-hydroxy-1,3-dimethylpyrimidine-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-hydroxy-1,3-dimethylpyrimidine-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-hydroxy-1,3-dimethylpyrimidine-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-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.