4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)-
TL;DR: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)- (CAS 108445-83-6) is a chemical compound with molecular formula C22H22ClF2N3O3 and molecular weight 449.13177 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,6-difluorophenyl)imino-9,10-dimethoxy-3,7-dimethyl-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-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)-, 2-(2,6-difluorophenyl)imino-9,10-dimethoxy-3,7-dimethyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one hydrochloride
Technical Specifications
| Molecular Formula | C22H22ClF2N3O3 |
| Molecular Weight | 449.13177 g/mol |
| XLogP | 3.9205 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.13177 Da |
| Heavy Atoms | 31 |
| Complexity | 720.0 |
| SMILES | CC1CN2C(=CC(=NC3=C(C=CC=C3F)F)N(C2=O)C)C4=CC(=C(C=C14)OC)OC.Cl |
| InChIKey | XXRZBBSQTJRJFR-UHFFFAOYSA-N |
Chemical Property Profile of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)-
Property Insights of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)-
The XLogP value of 3.9205 indicates that 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)- 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-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)- 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-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)- has 1 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 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)-?
The CAS number of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)- is 108445-83-6.
What is the molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)-?
The molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)- is C22H22ClF2N3O3.
What is the molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)-?
The molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)- is 449.13177 g/mol.
Where can I buy 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)-?
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Does CoreyChem offer custom synthesis for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)-?
Yes, CoreyChem provides custom synthesis services for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.