1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
TL;DR: 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 858744-20-4) is a chemical compound with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4-dione
Also Known As: 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione, 3-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione, 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-pyrimidine-2,4-dione, 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4-dione
| Molecular Formula | C22H23N3O5 |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 1.5428 |
| Topological Polar Surface Area | 105.58 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.16376 |
| Heavy Atoms | 30 |
| Complexity | 1183.8579 |
Chemical Identifiers
| CAS Number | 858744-20-4 |
|---|---|
| SMILES | COC1=C(C=C2C(NCCC2=C1)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)O)OC |
Product Overview
1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 858744-20-4), with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol. IUPAC: 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Property Insights of 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.5428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. The TPSA of 105.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-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 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The CAS number of 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 858744-20-4.
What is the molecular formula of 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular formula of 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is C22H23N3O5.
What is the molecular weight of 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular weight of 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 409.16 g/mol.
Where can I buy 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
You can request a quote for 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-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 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.