4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)-
TL;DR: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)- (CAS 108445-40-5) is a chemical compound with molecular formula C24H28ClN3O3 and molecular weight 441.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S)-9,10-dimethoxy-6-methyl-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
Also Known As: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)-, (6S)-9,10-Dimethoxy-6-methyl-2-(2,4,6-trimethylanilino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one--hydrogen chloride (1/1), (6S)-9,10-dimethoxy-6-methyl-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one hydrochloride, RefChem:297868
| Molecular Formula | C24H28ClN3O3 |
|---|---|
| Molecular Weight | 441.18 g/mol |
| LogP | 5.13526 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.18192 |
| Heavy Atoms | 31 |
| Complexity | 1180.3995 |
Chemical Identifiers
| CAS Number | 108445-40-5 |
|---|---|
| SMILES | C[C@H]1CC2=CC(=C(C=C2C3=CC(=NC(=O)N13)NC4=C(C=C(C=C4C)C)C)OC)OC.Cl |
Product Overview
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)- (CAS 108445-40-5), with molecular formula C24H28ClN3O3 and molecular weight 441.18 g/mol. IUPAC: (6S)-9,10-dimethoxy-6-methyl-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride.
Chemical Property Profile of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)-
Property Insights of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)-
The XLogP value of 5.13526 indicates that 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)-. Following Lipinski's Rule of Five, 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)-?
The CAS number of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)- is 108445-40-5.
What is the molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)-?
The molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)- is C24H28ClN3O3.
What is the molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)-?
The molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)- is 441.18 g/mol.
Where can I buy 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)-?
You can request a quote for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.