4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)-
TL;DR: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)- (CAS 108589-78-2) is a chemical compound with molecular formula C26H32ClN3O3 and molecular weight 469.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,7S)-9,10-dimethoxy-3,6,7-trimethyl-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-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)-, (6S,7S)-9,10-dimethoxy-3,6,7-trimethyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one hydrochloride, 4H-Pyrimido[6,1-a]isoquinolin-4-one,2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-[(2,4,6-trimethylphenyl)imino]-,monohydrochloride, (6S-cis)- (9CI)
| Molecular Formula | C26H32ClN3O3 |
|---|---|
| Molecular Weight | 469.21 g/mol |
| LogP | 5.12856 |
| Topological Polar Surface Area | 57.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 469.21323 |
| Heavy Atoms | 33 |
| Complexity | 1331.1039 |
Chemical Identifiers
| CAS Number | 108589-78-2 |
|---|---|
| SMILES | C[C@@H]1[C@@H](N2C(=CC(=NC3=C(C=C(C=C3C)C)C)N(C2=O)C)C4=CC(=C(C=C14)OC)OC)C.Cl |
Product Overview
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)- (CAS 108589-78-2), with molecular formula C26H32ClN3O3 and molecular weight 469.21 g/mol. IUPAC: (6S,7S)-9,10-dimethoxy-3,6,7-trimethyl-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-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)-
Property Insights of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)-
The XLogP value of 5.12856 indicates that 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)- 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-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)- 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-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)- 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-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)-?
The CAS number of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)- is 108589-78-2.
What is the molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)-?
The molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)- is C26H32ClN3O3.
What is the molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)-?
The molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)- is 469.21 g/mol.
Where can I buy 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)-?
You can request a quote for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)- 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-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6S-cis)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.