TL;DR: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (R)- (CAS 108445-88-1) is a chemical compound with molecular formula C25H30ClN3O3 and molecular weight 455.19757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7R)-9,10-dimethoxy-3,7-dimethyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
Also Known As: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (R)-, (7R)-9,10-dimethoxy-3,7-dimethyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one hydrochloride
| Molecular Formula | C25H30ClN3O3 |
| Molecular Weight | 455.19757 g/mol |
| XLogP | 4.56756 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.19757 Da |
| Heavy Atoms | 32 |
| Complexity | 738.0 |
| SMILES | C[C@H]1CN2C(=CC(=NC3=C(C=C(C=C3C)C)C)N(C2=O)C)C4=CC(=C(C=C14)OC)OC.Cl |
| InChIKey | AXTCECZBLPQVOQ-LMOVPXPDSA-N |
The XLogP value of 4.56756 indicates that 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (R)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (R)- is 108445-88-1.
The molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (R)- is C25H30ClN3O3.
The molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (R)- is 455.19757 g/mol.
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