![N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide structure](/static/products/899/899390-41-1.png)
N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide
TL;DR: N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide (CAS 899390-41-1) is a chemical compound with molecular formula C23H19ClF3N3O4 and molecular weight 493.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)acetamide
Also Known As: N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-N-(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)acetamide
| Molecular Formula | C23H19ClF3N3O4 |
|---|---|
| Molecular Weight | 493.10 g/mol |
| LogP | 4.8404 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 493.10162 |
| Heavy Atoms | 34 |
| Complexity | 1354.5077 |
Chemical Identifiers
| CAS Number | 899390-41-1 |
|---|---|
| SMILES | CC(=O)N(C1=C(C=CC(=C1)C(F)(F)F)Cl)C2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC |
Product Overview
N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide (CAS 899390-41-1), with molecular formula C23H19ClF3N3O4 and molecular weight 493.10 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-N-(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)acetamide.
Chemical Property Profile of N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide
Property Insights of N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide
The XLogP value of 4.8404 indicates that N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide. Following Lipinski's Rule of Five, N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide has 0 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 N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide?
The CAS number of N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide is 899390-41-1.
What is the molecular formula of N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide?
The molecular formula of N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide is C23H19ClF3N3O4.
What is the molecular weight of N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide?
The molecular weight of N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide is 493.10 g/mol.
Where can I buy N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide?
You can request a quote for N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.