(S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 452316-40-4) is a chemical compound with molecular formula C28H35N3O7 and molecular weight 525.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-[(2,5-dimethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-(2,5-dimethoxybenzyl)-5-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-[(2,5-dimethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C28H35N3O7 |
|---|---|
| Molecular Weight | 525.25 g/mol |
| LogP | 2.9196 |
| Topological Polar Surface Area | 97.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.2475 |
| Heavy Atoms | 38 |
| Complexity | 1237.2487 |
Chemical Identifiers
| CAS Number | 452316-40-4 |
|---|---|
| SMILES | C[C@H]1C2=CC(=C(C=C2CCN1CC3(C(=O)N(C(=O)N(C3=O)C)C)CC4=C(C=CC(=C4)OC)OC)OC)OC |
Product Overview
(S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 452316-40-4), with molecular formula C28H35N3O7 and molecular weight 525.25 g/mol. IUPAC: 5-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-[(2,5-dimethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.9196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 97.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 452316-40-4.
What is the molecular formula of (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C28H35N3O7.
What is the molecular weight of (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 525.25 g/mol.
Where can I buy (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,5-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.