4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
TL;DR: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride (CAS 108445-89-2) is a chemical compound with molecular formula C28H36ClN3O3 and molecular weight 497.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-diethyl-9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6H-pyrimido[6,1-a]isoquinolin-4-one;hydrochloride
Also Known As: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, 7,7-diethyl-9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6H-pyrimido[6,1-a]isoquinolin-4-one hydrochloride
| Molecular Formula | C28H36ClN3O3 |
|---|---|
| Molecular Weight | 497.24 g/mol |
| LogP | 5.52186 |
| Topological Polar Surface Area | 57.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.2445 |
| Heavy Atoms | 35 |
| Complexity | 1374.7723 |
Chemical Identifiers
| CAS Number | 108445-89-2 |
|---|---|
| SMILES | CCC1(CN2C(=CC(=NC3=C(C=C(C=C3C)C)C)N(C2=O)C)C4=CC(=C(C=C41)OC)OC)CC.Cl |
Product Overview
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride (CAS 108445-89-2), with molecular formula C28H36ClN3O3 and molecular weight 497.24 g/mol. IUPAC: 7,7-diethyl-9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6H-pyrimido[6,1-a]isoquinolin-4-one;hydrochloride.
Chemical Property Profile of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
Property Insights of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
The XLogP value of 5.52186 indicates that 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.75 Ų, 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, 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-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride has 0 hydrogen bond donor(s) and 4 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, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
The CAS number of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride is 108445-89-2.
What is the molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
The molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride is C28H36ClN3O3.
What is the molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
The molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride is 497.24 g/mol.
Where can I buy 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
You can request a quote for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride 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, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.