5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
TL;DR: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 858747-92-9) is a chemical compound with molecular formula C25H29N3O7 and molecular weight 483.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4-dione
Also Known As: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione, 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-4,6-dihydroxypyrimidin-2(1H)-one, 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4-dione
| Molecular Formula | C25H29N3O7 |
|---|---|
| Molecular Weight | 483.20 g/mol |
| LogP | 1.7544 |
| Topological Polar Surface Area | 124.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 483.20056 |
| Heavy Atoms | 35 |
| Complexity | 1346.1078 |
Chemical Identifiers
| CAS Number | 858747-92-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=C(C(=O)NC2=O)C3C4=CC(=C(C=C4CCN3)OC)OC)O)OC |
Product Overview
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 858747-92-9), with molecular formula C25H29N3O7 and molecular weight 483.20 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Property Insights of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.7544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. The TPSA of 124.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-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-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 858747-92-9.
What is the molecular formula of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is C25H29N3O7.
What is the molecular weight of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 483.20 g/mol.
Where can I buy 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethoxyphenethyl)-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)-1-(3,4-dimethoxyphenethyl)-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)-1-(3,4-dimethoxyphenethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.