4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
TL;DR: 4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- (CAS 108446-04-4) is a chemical compound with molecular formula C24H26ClN3O3 and molecular weight 439.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,8-dimethyl-4-(2,4,6-trimethylphenyl)imino-13,15-dioxa-5,7-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,10,12(16)-tetraen-6-one;hydrochloride
Also Known As: 4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
| Molecular Formula | C24H26ClN3O3 |
|---|---|
| Molecular Weight | 439.17 g/mol |
| LogP | 4.27906 |
| Topological Polar Surface Area | 57.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 439.16626 |
| Heavy Atoms | 31 |
| Complexity | 1314.112 |
Chemical Identifiers
| CAS Number | 108446-04-4 |
|---|---|
| SMILES | CC1CC2=CC3=C(C=C2C4=CC(=NC5=C(C=C(C=C5C)C)C)N(C(=O)N14)C)OCO3.Cl |
Product Overview
4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- (CAS 108446-04-4), with molecular formula C24H26ClN3O3 and molecular weight 439.17 g/mol. IUPAC: 5,8-dimethyl-4-(2,4,6-trimethylphenyl)imino-13,15-dioxa-5,7-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,10,12(16)-tetraen-6-one;hydrochloride.
Chemical Property Profile of 4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
Property Insights of 4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
The XLogP value of 4.27906 indicates that 4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-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-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- 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-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-?
The CAS number of 4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- is 108446-04-4.
What is the molecular formula of 4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-?
The molecular formula of 4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- is C24H26ClN3O3.
What is the molecular weight of 4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-?
The molecular weight of 4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- is 439.17 g/mol.
Where can I buy 4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-?
You can request a quote for 4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-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-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.