![N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide structure](/static/products/3425/342596-39-8.webp)
N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide (CAS 342596-39-8) is a chemical compound with molecular formula C23H18N2O5 and molecular weight 402.12158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide
Also Known As: BAS 03379663, BIM-0038176.P001, AF-399/12857014, F0448-0022, N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide
Technical Specifications
| Molecular Formula | C23H18N2O5 |
| Molecular Weight | 402.12158 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.12158 Da |
| Heavy Atoms | 30 |
| Complexity | 667.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
| InChIKey | SICHMCIRSVCDKR-UHFFFAOYSA-N |
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide is 342596-39-8.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide is C23H18N2O5.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide is 402.12158 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide?
Yes, CoreyChem provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.