![2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one structure](/static/products/6851/685108-22-9.webp)
2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one
TL;DR: 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one (CAS 685108-22-9) is a chemical compound with molecular formula C23H20F3N3O3 and molecular weight 443.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-15-[4-(trifluoromethyl)phenyl]-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one
Also Known As: 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one, 4,5-dimethoxy-15-[4-(trifluoromethyl)phenyl]-10,14,15-triazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-2(7),3,5,12(16),13-pentaen-11-one, 4,5-dimethoxy-15-[4-(trifluoromethyl)phenyl]-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one, 4,5-dimethoxy-15-[4-(trifluoromethyl)phenyl]-10,14,15-triazatetracyclo[8.7.0.0(2),?.0(1)(2),(1)?]heptadeca-2(7),3,5,12(16),13-pentaen-11-one
| Molecular Formula | C23H20F3N3O3 |
|---|---|
| Molecular Weight | 443.15 g/mol |
| LogP | 4.204 |
| Topological Polar Surface Area | 56.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.1457 |
| Heavy Atoms | 32 |
| Complexity | 1201.6761 |
Chemical Identifiers
| CAS Number | 685108-22-9 |
|---|---|
| SMILES | COC1=C(C=C2C3CC4=C(C=NN4C5=CC=C(C=C5)C(F)(F)F)C(=O)N3CCC2=C1)OC |
Product Overview
2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one (CAS 685108-22-9), with molecular formula C23H20F3N3O3 and molecular weight 443.15 g/mol. IUPAC: 4,5-dimethoxy-15-[4-(trifluoromethyl)phenyl]-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one.
Chemical Property Profile of 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one
Property Insights of 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one
The XLogP value of 4.204 indicates that 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.59 Ų, 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one 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 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one?
The CAS number of 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one is 685108-22-9.
What is the molecular formula of 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one?
The molecular formula of 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one is C23H20F3N3O3.
What is the molecular weight of 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one?
The molecular weight of 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one is 443.15 g/mol.
Where can I buy 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one?
You can request a quote for 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-dimethoxy-11-[4-(trifluoromethyl)phenyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.