amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate structure](/static/products/3387/338793-07-0.webp)
methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate
TL;DR: methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate (CAS 338793-07-0) is a chemical compound with molecular formula C18H13ClF3N3O3 and molecular weight 411.06 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]-methylamino]-1-oxoisoquinoline-4-carboxylate
Also Known As: methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate, methyl 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-1-oxoisoquinoline-4-carboxylate, methyl 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-1-oxo-1,2-dihydroisoquinoline-4-carboxylate, methyl2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
| Molecular Formula | C18H13ClF3N3O3 |
|---|---|
| Molecular Weight | 411.06 g/mol |
| LogP | 3.7548 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.05975 |
| Heavy Atoms | 28 |
| Complexity | 1128.4845 |
Chemical Identifiers
| CAS Number | 338793-07-0 |
|---|---|
| SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C(=O)OC |
Product Overview
methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate (CAS 338793-07-0), with molecular formula C18H13ClF3N3O3 and molecular weight 411.06 g/mol. IUPAC: methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-1-oxoisoquinoline-4-carboxylate.
Chemical Property Profile of methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate
Property Insights of methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate
The XLogP value of 3.7548 indicates that methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate. Following Lipinski's Rule of Five, methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate has 0 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](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate?
The CAS number of methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate is 338793-07-0.
What is the molecular formula of methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate?
The molecular formula of methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate is C18H13ClF3N3O3.
What is the molecular weight of methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate?
The molecular weight of methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate is 411.06 g/mol.
Where can I buy methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate?
You can request a quote for methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)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](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.