![Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate structure](/static/products/565/565166-19-0.png)
Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate
TL;DR: Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate (CAS 565166-19-0) is a chemical compound with molecular formula C25H21N3O4 and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-hydroxy-2-(6-methyl-2-pyridinyl)-1-oxoisoquinolin-4-yl]methylideneamino]benzoate
Also Known As: Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate, ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxoisoquinolin-4-ylidene]methylamino]benzoate, (E)-ethyl 4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoate, ethyl 4-({(E)-[2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene]methyl}amino)benzoate, ethyl 4-[[(E)-[2-(6-methylpyridin-2-yl)-1,3-dioxoisoquinolin-4-ylidene]methyl]amino]benzoate
| Molecular Formula | C25H21N3O4 |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 4.32702 |
| Topological Polar Surface Area | 93.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.1532 |
| Heavy Atoms | 32 |
| Complexity | 1388.9741 |
Chemical Identifiers
| CAS Number | 565166-19-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC(=N4)C)O |
Product Overview
Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate (CAS 565166-19-0), with molecular formula C25H21N3O4 and molecular weight 427.15 g/mol. IUPAC: ethyl 4-[[3-hydroxy-2-(6-methyl-2-pyridinyl)-1-oxoisoquinolin-4-yl]methylideneamino]benzoate.
Chemical Property Profile of Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate
Property Insights of Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate
The XLogP value of 4.32702 indicates that Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate has 1 hydrogen bond donor(s) and 6 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 Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate?
The CAS number of Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate is 565166-19-0.
What is the molecular formula of Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate?
The molecular formula of Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate is C25H21N3O4.
What is the molecular weight of Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate?
The molecular weight of Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate is 427.15 g/mol.
Where can I buy Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate?
You can request a quote for Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.