amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide structure](/static/products/3391/339106-91-1.webp)
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
TL;DR: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide (CAS 339106-91-1) is a chemical compound with molecular formula C19H16ClF3N4O2 and molecular weight 424.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide
Also Known As: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide, 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide, 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-N,N-dimethyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide, 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide
| Molecular Formula | C19H16ClF3N4O2 |
|---|---|
| Molecular Weight | 424.09 g/mol |
| LogP | 3.67 |
| Topological Polar Surface Area | 58.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.0914 |
| Heavy Atoms | 29 |
| Complexity | 1158.3799 |
Chemical Identifiers
| CAS Number | 339106-91-1 |
|---|---|
| SMILES | CN(C)C(=O)C1=CN(C(=O)C2=CC=CC=C21)N(C)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide (CAS 339106-91-1), with molecular formula C19H16ClF3N4O2 and molecular weight 424.09 g/mol. IUPAC: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide.
Chemical Property Profile of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
Property Insights of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
The XLogP value of 3.67 indicates that 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.44 Ų, 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide 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-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide?
The CAS number of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide is 339106-91-1.
What is the molecular formula of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide?
The molecular formula of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide is C19H16ClF3N4O2.
What is the molecular weight of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide?
The molecular weight of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide is 424.09 g/mol.
Where can I buy 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide?
You can request a quote for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.