4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate
TL;DR: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate (CAS 76536-67-9) 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.
9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-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-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate, 9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one hydrochloride, 9,10-Dimethoxy-2-[methyl(2,4,6-trimethylphenyl)amino]-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one--hydrogen chloride (1/1), RefChem:297864
| Molecular Formula | C24H28ClN3O3 |
|---|---|
| Molecular Weight | 441.18 g/mol |
| LogP | 4.59856 |
| Topological Polar Surface Area | 56.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.18192 |
| Heavy Atoms | 31 |
| Complexity | 1180.3995 |
Chemical Identifiers
| CAS Number | 76536-67-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N(C)C2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC)C.Cl |
Product Overview
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate (CAS 76536-67-9), with molecular formula C24H28ClN3O3 and molecular weight 441.18 g/mol. IUPAC: 9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-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-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate
Property Insights of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate
The XLogP value of 4.59856 indicates that 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.59 Ų, 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate?
The CAS number of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate is 76536-67-9.
What is the molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate?
The molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate is C24H28ClN3O3.
What is the molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate?
The molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate is 441.18 g/mol.
Where can I buy 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate?
You can request a quote for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate 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-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.