5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
TL;DR: 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 586991-56-2) is a chemical compound with molecular formula C21H18ClN3O4 and molecular weight 411.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
Also Known As: 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione, 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-4,6-dihydroxypyrimidin-2(1H)-one, 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
| Molecular Formula | C21H18ClN3O4 |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | 2.3788 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.09857 |
| Heavy Atoms | 29 |
| Complexity | 1213.8313 |
Chemical Identifiers
| CAS Number | 586991-56-2 |
|---|---|
| SMILES | CC(=O)N1CCC2=CC=CC=C2C1C3=C(N(C(=O)NC3=O)C4=CC=C(C=C4)Cl)O |
Product Overview
5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 586991-56-2), with molecular formula C21H18ClN3O4 and molecular weight 411.10 g/mol. IUPAC: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Property Insights of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.3788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione has 2 hydrogen bond donor(s) and 4 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-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 586991-56-2.
What is the molecular formula of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is C21H18ClN3O4.
What is the molecular weight of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 411.10 g/mol.
Where can I buy 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-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-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.