3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1185175-62-5) is a chemical compound with molecular formula C23H29N3O4S and molecular weight 443.18787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(cyclohexen-1-yl)ethyl]-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 1-[2-(cyclohexen-1-yl)ethyl]-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one, 3-[2-(cyclohex-1-en-1-yl)ethyl]-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Technical Specifications
| Molecular Formula | C23H29N3O4S |
| Molecular Weight | 443.18787 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.18787 Da |
| Heavy Atoms | 31 |
| Complexity | 768.0 |
| SMILES | COC1=C(C=C2C(NCCC2=C1)C3=C(N(C(=S)NC3=O)CCC4=CCCCC4)O)OC |
| InChIKey | NXNKKZAWHXAFSQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one 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
What is the CAS number of 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1185175-62-5.
What is the molecular formula of 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C23H29N3O4S.
What is the molecular weight of 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 443.18787 g/mol.
Where can I buy 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, CoreyChem provides custom synthesis services for 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.