1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
TL;DR: 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride (CAS 108446-08-8) is a chemical compound with molecular formula C26H26ClN3O and molecular weight 431.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride
Also Known As: 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
| Molecular Formula | C26H26ClN3O |
|---|---|
| Molecular Weight | 431.18 g/mol |
| LogP | 5.14256 |
| Topological Polar Surface Area | 39.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 431.17645 |
| Heavy Atoms | 31 |
| Complexity | 1437.2245 |
Chemical Identifiers
| CAS Number | 108446-08-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N=C2C=C3C4=C(CCN3C(=O)N2C)C5=CC=CC=C5C=C4)C.Cl |
Product Overview
1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride (CAS 108446-08-8), with molecular formula C26H26ClN3O and molecular weight 431.18 g/mol. IUPAC: 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride.
Chemical Property Profile of 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
Property Insights of 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
The XLogP value of 5.14256 indicates that 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((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 39.29 Ų, 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
The CAS number of 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride is 108446-08-8.
What is the molecular formula of 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
The molecular formula of 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride is C26H26ClN3O.
What is the molecular weight of 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
The molecular weight of 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride is 431.18 g/mol.
Where can I buy 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
You can request a quote for 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((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 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzo(f)pyrimido(6,1-a)isoquinolin-1-one, 2,3,11,12-tetrahydro-2-methyl-3-((2,4,6-trimethylphenyl)imino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.