![2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/3270/327093-95-8.webp)
2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 327093-95-8) is a chemical compound with molecular formula C28H29N3O6 and molecular weight 503.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, AF-399/15599217, F1012-0090, 2-[2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione, 3-{2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl}-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
| Molecular Formula | C28H29N3O6 |
|---|---|
| Molecular Weight | 503.21 g/mol |
| LogP | 2.9196 |
| Topological Polar Surface Area | 88.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.20563 |
| Heavy Atoms | 37 |
| Complexity | 1303.8353 |
Chemical Identifiers
| CAS Number | 327093-95-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 327093-95-8), with molecular formula C28H29N3O6 and molecular weight 503.21 g/mol. IUPAC: 2-[2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 2.9196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione. The TPSA of 88.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 327093-95-8.
What is the molecular formula of 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is C28H29N3O6.
What is the molecular weight of 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 503.21 g/mol.
Where can I buy 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.