![2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one structure](/static/products/848/848754-00-7.png)
2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
TL;DR: 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one (CAS 848754-00-7) is a chemical compound with molecular formula C21H20FN3O3 and molecular weight 381.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Also Known As: 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one, 2-[(4-fluorobenzyl)amino]-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one, 2-[(4-fluorophenyl)methylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
| Molecular Formula | C21H20FN3O3 |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 3.2348 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.14886 |
| Heavy Atoms | 28 |
| Complexity | 1077.4893 |
Chemical Identifiers
| CAS Number | 848754-00-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCC4=CC=C(C=C4)F)OC |
Product Overview
2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one (CAS 848754-00-7), with molecular formula C21H20FN3O3 and molecular weight 381.15 g/mol. IUPAC: 2-[(4-fluorophenyl)methylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
Chemical Property Profile of 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Property Insights of 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
The XLogP value of 3.2348 indicates that 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[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 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one. Following Lipinski's Rule of Five, 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[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 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one?
The CAS number of 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one is 848754-00-7.
What is the molecular formula of 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one?
The molecular formula of 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one is C21H20FN3O3.
What is the molecular weight of 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one?
The molecular weight of 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one is 381.15 g/mol.
Where can I buy 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one?
You can request a quote for 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[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 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-fluorobenzyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.