(E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid
TL;DR: (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid (CAS 554404-93-2) is a chemical compound with molecular formula C23H17N3O5 and molecular weight 415.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-[[3-hydroxy-2-(6-methyl-2-pyridinyl)-1-oxoisoquinolin-4-yl]methylideneamino]benzoic acid
Also Known As: (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid, 2-hydroxy-4-({(E)-[2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene]methyl}amino)benzoic acid, 2-hydroxy-4-[[(E)-[2-(6-methylpyridin-2-yl)-1,3-dioxoisoquinolin-4-ylidene]methyl]amino]benzoic acid, 2-hydroxy-4-[[(Z)-[2-(6-methylpyridin-2-yl)-1,3-dioxoisoquinolin-4-ylidene]methyl]amino]benzoic acid, 2-hydroxy-4-[[2-(6-methylpyridin-2-yl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoic Acid
| Molecular Formula | C23H17N3O5 |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | 3.55412 |
| Topological Polar Surface Area | 125.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.11682 |
| Heavy Atoms | 31 |
| Complexity | 1422.906 |
Chemical Identifiers
| CAS Number | 554404-93-2 |
|---|---|
| SMILES | CC1=NC(=CC=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=CC(=C(C=C4)C(=O)O)O)O |
Product Overview
(E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid (CAS 554404-93-2), with molecular formula C23H17N3O5 and molecular weight 415.12 g/mol. IUPAC: 2-hydroxy-4-[[3-hydroxy-2-(6-methyl-2-pyridinyl)-1-oxoisoquinolin-4-yl]methylideneamino]benzoic acid.
Chemical Property Profile of (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid
Property Insights of (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid
The XLogP value of 3.55412 indicates that (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid. Following Lipinski's Rule of Five, (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid has 3 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 (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid?
The CAS number of (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid is 554404-93-2.
What is the molecular formula of (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid?
The molecular formula of (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid is C23H17N3O5.
What is the molecular weight of (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid?
The molecular weight of (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid is 415.12 g/mol.
Where can I buy (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid?
You can request a quote for (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-hydroxy-4-(((2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.