5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
TL;DR: 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 1189431-11-5) is a chemical compound with molecular formula C23H27N3O4 and molecular weight 409.20016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione, 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]-2,6-dihydroxypyrimidin-4(3H)-one, 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione
Technical Specifications
| Molecular Formula | C23H27N3O4 |
| Molecular Weight | 409.20016 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 90.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.20016 Da |
| Heavy Atoms | 30 |
| Complexity | 787.0 |
| SMILES | CC(=O)N1CCC2=CC=CC=C2C1C3=C(N(C(=O)NC3=O)CCC4=CCCCC4)O |
| InChIKey | WTOPPRPHENEZKT-UHFFFAOYSA-N |
Chemical Property Profile of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Property Insights of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-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
What is the CAS number of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 1189431-11-5.
What is the molecular formula of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is C23H27N3O4.
What is the molecular weight of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 409.20016 g/mol.
Where can I buy 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
Yes, CoreyChem provides custom synthesis services for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.