![(E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione structure](/static/products/116/1164545-83-8.png)
(E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione
TL;DR: (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione (CAS 1164545-83-8) is a chemical compound with molecular formula C23H17N3O4 and molecular weight 399.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yliminomethyl)-3-hydroxy-2-(6-methyl-2-pyridinyl)isoquinolin-1-one
Also Known As: (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione, 4-((Benzo[d][1,3]dioxol-5-ylimino)methyl)-3-hydroxy-2-(6-methylpyridin-2-yl)isoquinolin-1(2H)-one, 4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3-dione, (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione, (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3-dione
| Molecular Formula | C23H17N3O4 |
|---|---|
| Molecular Weight | 399.12 g/mol |
| LogP | 3.87902 |
| Topological Polar Surface Area | 85.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.12192 |
| Heavy Atoms | 30 |
| Complexity | 1374.987 |
Chemical Identifiers
| CAS Number | 1164545-83-8 |
|---|---|
| SMILES | CC1=NC(=CC=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=CC5=C(C=C4)OCO5)O |
Product Overview
(E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione (CAS 1164545-83-8), with molecular formula C23H17N3O4 and molecular weight 399.12 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yliminomethyl)-3-hydroxy-2-(6-methyl-2-pyridinyl)isoquinolin-1-one.
Chemical Property Profile of (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione
Property Insights of (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione
The XLogP value of 3.87902 indicates that (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione. Following Lipinski's Rule of Five, (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione 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 (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione?
The CAS number of (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione is 1164545-83-8.
What is the molecular formula of (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione?
The molecular formula of (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione is C23H17N3O4.
What is the molecular weight of (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione?
The molecular weight of (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione is 399.12 g/mol.
Where can I buy (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione?
You can request a quote for (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.