4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)-
TL;DR: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)- (CAS 108445-79-0) is a chemical compound with molecular formula C25H30ClN3O6 and molecular weight 503.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dimethoxy-3,7-dimethyl-2-(3,4,5-trimethoxyphenyl)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-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)-, 9,10-dimethoxy-3,7-dimethyl-2-(3,4,5-trimethoxyphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one hydrochloride
| Molecular Formula | C25H30ClN3O6 |
|---|---|
| Molecular Weight | 503.18 g/mol |
| LogP | 3.6681 |
| Topological Polar Surface Area | 85.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.1823 |
| Heavy Atoms | 35 |
| Complexity | 1353.8309 |
Chemical Identifiers
| CAS Number | 108445-79-0 |
|---|---|
| SMILES | CC1CN2C(=CC(=NC3=CC(=C(C(=C3)OC)OC)OC)N(C2=O)C)C4=CC(=C(C=C14)OC)OC.Cl |
Product Overview
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)- (CAS 108445-79-0), with molecular formula C25H30ClN3O6 and molecular weight 503.18 g/mol. IUPAC: 9,10-dimethoxy-3,7-dimethyl-2-(3,4,5-trimethoxyphenyl)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-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)-
Property Insights of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)-
The XLogP value of 3.6681 indicates that 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)-. Following Lipinski's Rule of Five, 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)- has 0 hydrogen bond donor(s) and 7 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-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)-?
The CAS number of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)- is 108445-79-0.
What is the molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)-?
The molecular formula of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)- is C25H30ClN3O6.
What is the molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)-?
The molecular weight of 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)- is 503.18 g/mol.
Where can I buy 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)-?
You can request a quote for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)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-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3,4,5-trimethoxyphenyl)imino)-, monohydrochloride, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.