4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-8,9-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-
TL;DR: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-8,9-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- (CAS 108446-00-0) is a chemical compound with molecular formula C25H30ClN3O3 and molecular weight 455.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S)-8,9-dimethoxy-3,6-dimethyl-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-8,9-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-, (6S)-8,9-dimethoxy-3,6-dimethyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one hydrochloride
| Molecular Formula | C25H30ClN3O3 |
|---|---|
| Molecular Weight | 455.20 g/mol |
| LogP | 4.56756 |
| Topological Polar Surface Area | 57.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.19757 |
| Heavy Atoms | 32 |
| Complexity | 1298.2233 |
Chemical Identifiers
| CAS Number | 108446-00-0 |
|---|---|
| SMILES | C[C@H]1CC2=C(C=CC(=C2OC)OC)C3=CC(=NC4=C(C=C(C=C4C)C)C)N(C(=O)N13)C.Cl |
Product Overview
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-8,9-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- (CAS 108446-00-0), with molecular formula C25H30ClN3O3 and molecular weight 455.20 g/mol. IUPAC: (6S)-8,9-dimethoxy-3,6-dimethyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride.
Chemical Property Profile of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-8,9-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-
Property Insights of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-8,9-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-
The XLogP value of 4.56756 indicates that 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-8,9-dimethoxy-3,6-dimethyl-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 57.75 Ų, 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-8,9-dimethoxy-3,6-dimethyl-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-8,9-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- has 0 hydrogen bond donor(s) and 4 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, 2,3,6,7-tetrahydro-8,9-dimethoxy-3,6-dimethyl-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-8,9-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- is 108446-00-0.
What is the molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-8,9-dimethoxy-3,6-dimethyl-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-8,9-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- is C25H30ClN3O3.
What is the molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-8,9-dimethoxy-3,6-dimethyl-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-8,9-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- is 455.20 g/mol.
Where can I buy 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-8,9-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-?
You can request a quote for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-8,9-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, 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, 2,3,6,7-tetrahydro-8,9-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-8,9-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.