(S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one
TL;DR: (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one (CAS 1212346-95-6) is a chemical compound with molecular formula C25H27N3O5S and molecular weight 481.16714 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzyl-2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one, 5-benzyl-2-({2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}sulfanyl)-6-hydroxypyrimidin-4(3H)-one, 5-benzyl-2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one
Technical Specifications
| Molecular Formula | C25H27N3O5S |
| Molecular Weight | 481.16714 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.16714 Da |
| Heavy Atoms | 34 |
| Complexity | 825.0 |
| SMILES | C[C@H]1C2=CC(=C(C=C2CCN1C(=O)CSC3=NC(=C(C(=O)N3)CC4=CC=CC=C4)O)OC)OC |
| InChIKey | RBJUUDFZNRIDMB-HNNXBMFYSA-N |
Chemical Property Profile of (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one
Property Insights of (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one
The XLogP value of 3.4 indicates that (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one. Following Lipinski's Rule of Five, (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one?
The CAS number of (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one is 1212346-95-6.
What is the molecular formula of (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one?
The molecular formula of (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one is C25H27N3O5S.
What is the molecular weight of (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one?
The molecular weight of (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one is 481.16714 g/mol.
Where can I buy (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one?
You can request a quote for (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one?
Yes, CoreyChem provides custom synthesis services for (S)-5-benzyl-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.