5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
TL;DR: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 858739-30-7) is a chemical compound with molecular formula C23H25N3O5 and molecular weight 423.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-ethylphenyl)-6-hydroxypyrimidine-2,4-dione
Also Known As: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione, 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-ethylphenyl)-6-hydroxypyrimidine-2,4-dione
| Molecular Formula | C23H25N3O5 |
|---|---|
| Molecular Weight | 423.18 g/mol |
| LogP | 2.0461 |
| Topological Polar Surface Area | 105.58 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.1794 |
| Heavy Atoms | 31 |
| Complexity | 1227.6849 |
Chemical Identifiers
| CAS Number | 858739-30-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)C3C4=CC(=C(C=C4CCN3)OC)OC)O |
Product Overview
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 858739-30-7), with molecular formula C23H25N3O5 and molecular weight 423.18 g/mol. IUPAC: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-ethylphenyl)-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Property Insights of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.0461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. The TPSA of 105.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione has 3 hydrogen bond donor(s) and 6 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-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 858739-30-7.
What is the molecular formula of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is C23H25N3O5.
What is the molecular weight of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 423.18 g/mol.
Where can I buy 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-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-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.