![2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione structure](/static/products/4520/452089-27-9.webp)
2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
TL;DR: 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione (CAS 452089-27-9) is a chemical compound with molecular formula C26H26N4O6S and molecular weight 522.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione, 2-(2-(4-((2,4-dimethyl-5-nitrophenyl)sulfonyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-(2-{4-[(2,4-dimethyl-5-nitrophenyl)sulfonyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-(2-{4-[(2,4-dimethyl-5-nitrophenyl)sulfonyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C26H26N4O6S |
|---|---|
| Molecular Weight | 522.16 g/mol |
| LogP | 2.96734 |
| Topological Polar Surface Area | 121.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.1573 |
| Heavy Atoms | 37 |
| Complexity | 1510.0254 |
Chemical Identifiers
| CAS Number | 452089-27-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C |
Product Overview
2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione (CAS 452089-27-9), with molecular formula C26H26N4O6S and molecular weight 522.16 g/mol. IUPAC: 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Property Insights of 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
The XLogP value of 2.96734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione. The TPSA of 121.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-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-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione?
The CAS number of 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione is 452089-27-9.
What is the molecular formula of 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione?
The molecular formula of 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione is C26H26N4O6S.
What is the molecular weight of 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione?
The molecular weight of 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione is 522.16 g/mol.
Where can I buy 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione?
You can request a quote for 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-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-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-[4-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.