amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid structure](/static/products/3391/339106-81-9.webp)
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid
TL;DR: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid (CAS 339106-81-9) is a chemical compound with molecular formula C17H11ClF3N3O3 and molecular weight 397.04 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]-1-oxoisoquinoline-4-carboxylic acid
Also Known As: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid, 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-1-oxoisoquinoline-4-carboxylic acid, 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid, 2-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)(methyl)amino)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid, 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]-1-oxo-isoquinoline-4-carboxylic acid
| Molecular Formula | C17H11ClF3N3O3 |
|---|---|
| Molecular Weight | 397.04 g/mol |
| LogP | 3.6664 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.0441 |
| Heavy Atoms | 27 |
| Complexity | 1111.9995 |
Chemical Identifiers
| CAS Number | 339106-81-9 |
|---|---|
| SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C(=O)O |
Product Overview
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid (CAS 339106-81-9), with molecular formula C17H11ClF3N3O3 and molecular weight 397.04 g/mol. IUPAC: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-1-oxoisoquinoline-4-carboxylic acid.
Chemical Property Profile of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid
Property Insights of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid
The XLogP value of 3.6664 indicates that 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid. Following Lipinski's Rule of Five, 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid has 1 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]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid?
The CAS number of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid is 339106-81-9.
What is the molecular formula of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid?
The molecular formula of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid is C17H11ClF3N3O3.
What is the molecular weight of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid?
The molecular weight of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid is 397.04 g/mol.
Where can I buy 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid?
You can request a quote for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid 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]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.