![2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/4520/452089-65-5.webp)
2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 452089-65-5) is a chemical compound with molecular formula C31H30N4O6S and molecular weight 586.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4,5-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, F1081-0069, 2-[2-[4,5-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-dione, 3-[2-(4,5-dimethoxy-2-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}phenyl)ethyl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione, 2-(2-{4,5-dimethoxy-2-[4-(2-pyridyl)-1-piperazinylsulfonyl]phenyl}ethyl)-2-aza-1H-phenalene-1,3(2H)-dione
| Molecular Formula | C31H30N4O6S |
|---|---|
| Molecular Weight | 586.19 g/mol |
| LogP | 3.6016 |
| Topological Polar Surface Area | 109.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 586.1886 |
| Heavy Atoms | 42 |
| Complexity | 1735.7094 |
Chemical Identifiers
| CAS Number | 452089-65-5 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)N5CCN(CC5)C6=CC=CC=N6)OC |
Product Overview
2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 452089-65-5), with molecular formula C31H30N4O6S and molecular weight 586.19 g/mol. IUPAC: 2-[2-[4,5-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 3.6016 indicates that 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 452089-65-5.
What is the molecular formula of 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is C31H30N4O6S.
What is the molecular weight of 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 586.19 g/mol.
Where can I buy 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-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-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,5-dimethoxy-2-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.