4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-
TL;DR: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- (CAS 108445-55-2) is a chemical compound with molecular formula C26H32ClN3O3 and molecular weight 469.21323 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6S)-6-ethyl-9,10-dimethoxy-3-methyl-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-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-, (6S)-6-ethyl-9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one hydrochloride, 4H-Pyrimido[6,1-a]isoquinolin-4-one,6-ethyl-2,3,6,7-tetrahydro-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-,monohydrochloride, (S)- (9CI)
Technical Specifications
| Molecular Formula | C26H32ClN3O3 |
| Molecular Weight | 469.21323 g/mol |
| XLogP | 4.95766 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.21323 Da |
| Heavy Atoms | 33 |
| Complexity | 753.0 |
| SMILES | CC[C@H]1CC2=CC(=C(C=C2C3=CC(=NC4=C(C=C(C=C4C)C)C)N(C(=O)N13)C)OC)OC.Cl |
| InChIKey | SGMJWCCBAKZWOV-FYZYNONXSA-N |
Chemical Property Profile of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-
Property Insights of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-
The XLogP value of 4.95766 indicates that 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- 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-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- 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-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- has 1 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 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-?
The CAS number of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- is 108445-55-2.
What is the molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-?
The molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- is C26H32ClN3O3.
What is the molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-?
The molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- is 469.21323 g/mol.
Where can I buy 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-?
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Does CoreyChem offer custom synthesis for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-?
Yes, CoreyChem provides custom synthesis services for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.