3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
TL;DR: 3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 858744-94-2) is a chemical compound with molecular formula C21H20BrN3O5 and molecular weight 473.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4-dione
Also Known As: 3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione, 1-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4-dione, 3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,6-dihydroxypyrimidin-4(3H)-one
| Molecular Formula | C21H20BrN3O5 |
|---|---|
| Molecular Weight | 473.06 g/mol |
| LogP | 2.2462 |
| Topological Polar Surface Area | 105.58 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.05862 |
| Heavy Atoms | 30 |
| Complexity | 1217.0371 |
Chemical Identifiers
| CAS Number | 858744-94-2 |
|---|---|
| SMILES | COC1=C(C=C2C(NCCC2=C1)C3=C(N(C(=O)NC3=O)C4=CC=C(C=C4)Br)O)OC |
Product Overview
3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 858744-94-2), with molecular formula C21H20BrN3O5 and molecular weight 473.06 g/mol. IUPAC: 1-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Property Insights of 3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.2462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-bromophenyl)-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 3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 3-(4-bromophenyl)-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 3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The CAS number of 3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 858744-94-2.
What is the molecular formula of 3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular formula of 3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is C21H20BrN3O5.
What is the molecular weight of 3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular weight of 3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 473.06 g/mol.
Where can I buy 3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
You can request a quote for 3-(4-bromophenyl)-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 3-(4-bromophenyl)-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 3-(4-bromophenyl)-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.