![9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one structure](/static/products/912/91209-99-3.png)
9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
TL;DR: 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CAS 91209-99-3) is a chemical compound with molecular formula C21H18F3N3O3 and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Also Known As: 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one, 9,10-dimethoxy-2-((3-(trifluoromethyl)phenyl)amino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one, 9,10-dimethoxy-2-{[3-(trifluoromethyl)phenyl]amino}-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
| Molecular Formula | C21H18F3N3O3 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 4.246 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.13004 |
| Heavy Atoms | 30 |
| Complexity | 1172.3789 |
Chemical Identifiers
| CAS Number | 91209-99-3 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NC4=CC=CC(=C4)C(F)(F)F)OC |
Product Overview
9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CAS 91209-99-3), with molecular formula C21H18F3N3O3 and molecular weight 417.13 g/mol. IUPAC: 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
Chemical Property Profile of 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Property Insights of 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
The XLogP value of 4.246 indicates that 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one. Following Lipinski's Rule of Five, 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has 1 hydrogen bond donor(s) and 5 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 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The CAS number of 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is 91209-99-3.
What is the molecular formula of 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The molecular formula of 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is C21H18F3N3O3.
What is the molecular weight of 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The molecular weight of 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is 417.13 g/mol.
Where can I buy 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
You can request a quote for 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.