![N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide structure](/static/products/664/664972-91-2.png)
N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide
TL;DR: N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide (CAS 664972-91-2) is a chemical compound with molecular formula C18H10ClN3O3 and molecular weight 351.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl)pyridine-4-carboxamide
Also Known As: N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide, N-(6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl)pyridine-4-carboxamide, N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pyridine-4-carboxamide
| Molecular Formula | C18H10ClN3O3 |
|---|---|
| Molecular Weight | 351.04 g/mol |
| LogP | 2.8292 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.04108 |
| Heavy Atoms | 25 |
| Complexity | 1027.8706 |
Chemical Identifiers
| CAS Number | 664972-91-2 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)NC(=O)C4=CC=NC=C4)Cl |
Product Overview
N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide (CAS 664972-91-2), with molecular formula C18H10ClN3O3 and molecular weight 351.04 g/mol. IUPAC: N-(6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl)pyridine-4-carboxamide.
Chemical Property Profile of N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide
Property Insights of N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide
The XLogP value of 2.8292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide. Following Lipinski's Rule of Five, N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide has 1 hydrogen bond donor(s) and 4 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 N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide?
The CAS number of N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide is 664972-91-2.
What is the molecular formula of N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide?
The molecular formula of N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide is C18H10ClN3O3.
What is the molecular weight of N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide?
The molecular weight of N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide is 351.04 g/mol.
Where can I buy N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide?
You can request a quote for N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.