![3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate structure](/static/products/3258/325850-99-5.webp)
3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate
TL;DR: 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate (CAS 325850-99-5) is a chemical compound with molecular formula C22H18N2O4 and molecular weight 374.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-4-ylpropyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate
Also Known As: BAS 00791804, BRD-K51721322-001-01-3, 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate, 1H-Benz[de]isoquinoline-2(3H)-acetic acid, 1,3-dioxo-, 3-(4-pyridinyl)propyl ester, 3-pyridin-4-ylpropyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate
| Molecular Formula | C22H18N2O4 |
|---|---|
| Molecular Weight | 374.13 g/mol |
| LogP | 3.0068 |
| Topological Polar Surface Area | 76.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.12665 |
| Heavy Atoms | 28 |
| Complexity | 1011.82965 |
Chemical Identifiers
| CAS Number | 325850-99-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)OCCCC4=CC=NC=C4 |
Product Overview
3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate (CAS 325850-99-5), with molecular formula C22H18N2O4 and molecular weight 374.13 g/mol. IUPAC: 3-pyridin-4-ylpropyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate.
Chemical Property Profile of 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate
Property Insights of 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate
The XLogP value of 3.0068 indicates that 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate. Following Lipinski's Rule of Five, 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate has 0 hydrogen bond donor(s) and 5 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 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate?
The CAS number of 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate is 325850-99-5.
What is the molecular formula of 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate?
The molecular formula of 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate is C22H18N2O4.
What is the molecular weight of 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate?
The molecular weight of 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate is 374.13 g/mol.
Where can I buy 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate?
You can request a quote for 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(pyridin-4-yl)propyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.