![methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate structure](/static/products/3391/339106-16-0.webp)
methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate
TL;DR: methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate (CAS 339106-16-0) 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.
methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxoisoquinoline-4-carboxylate
Also Known As: methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate, methyl 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-1-oxoisoquinoline-4-carboxylate, methyl 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-1-oxo-1,2-dihydroisoquinoline-4-carboxylate, methyl2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
| Molecular Formula | C17H11ClF3N3O3 |
|---|---|
| Molecular Weight | 397.04 g/mol |
| LogP | 3.7305 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.0441 |
| Heavy Atoms | 27 |
| Complexity | 1096.1995 |
Chemical Identifiers
| CAS Number | 339106-16-0 |
|---|---|
| SMILES | COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate (CAS 339106-16-0), with molecular formula C17H11ClF3N3O3 and molecular weight 397.04 g/mol. IUPAC: methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxoisoquinoline-4-carboxylate.
Chemical Property Profile of methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate
Property Insights of methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate
The XLogP value of 3.7305 indicates that methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate. Following Lipinski's Rule of Five, methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate has 1 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 methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate?
The CAS number of methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate is 339106-16-0.
What is the molecular formula of methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate?
The molecular formula of methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate is C17H11ClF3N3O3.
What is the molecular weight of methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate?
The molecular weight of methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate is 397.04 g/mol.
Where can I buy methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate?
You can request a quote for methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.