![2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime structure](/static/products/3390/339097-12-0.webp)
2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime
TL;DR: 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime (CAS 339097-12-0) is a chemical compound with molecular formula C22H19F3N2O3 and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(trifluoromethyl)phenyl]methoxyiminomethyl]-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
Also Known As: 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime, 3-[[4-(trifluoromethyl)phenyl]methoxyiminomethyl]-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione, 3-[[4-(trifluoromethyl)benzyl]oximinomethyl]-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-quinone
| Molecular Formula | C22H19F3N2O3 |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 3.9228 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.13477 |
| Heavy Atoms | 30 |
| Complexity | 985.86743 |
Chemical Identifiers
| CAS Number | 339097-12-0 |
|---|---|
| SMILES | C1CN2C(CC(=O)C(C2=O)C=NOCC3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C41 |
Product Overview
2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime (CAS 339097-12-0), with molecular formula C22H19F3N2O3 and molecular weight 416.13 g/mol. IUPAC: 3-[[4-(trifluoromethyl)phenyl]methoxyiminomethyl]-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione.
Chemical Property Profile of 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime
Property Insights of 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime
The XLogP value of 3.9228 indicates that 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.97 Ų, 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime 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 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime?
The CAS number of 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime is 339097-12-0.
What is the molecular formula of 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime?
The molecular formula of 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime is C22H19F3N2O3.
What is the molecular weight of 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime?
The molecular weight of 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime is 416.13 g/mol.
Where can I buy 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime?
You can request a quote for 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carbaldehyde O-[4-(trifluoromethyl)benzyl]oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.