![2-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/4520/452089-53-1.webp)
2-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 452089-53-1) is a chemical compound with molecular formula C32H31N3O6S and molecular weight 585.19 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-phenylpiperazin-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: 2-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, F1081-0010, 2-[2-[4,5-dimethoxy-2-(4-phenylpiperazin-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-dione, 3-(2-{4,5-dimethoxy-2-[(4-phenylpiperazin-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-phenylpiperazin-1-yl)sulfonyl]phenyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C32H31N3O6S |
|---|---|
| Molecular Weight | 585.19 g/mol |
| LogP | 4.2066 |
| Topological Polar Surface Area | 96.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 585.19336 |
| Heavy Atoms | 42 |
| Complexity | 1732.5345 |
Chemical Identifiers
| CAS Number | 452089-53-1 |
|---|---|
| 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=C6)OC |
Product Overview
2-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 452089-53-1), with molecular formula C32H31N3O6S and molecular weight 585.19 g/mol. IUPAC: 2-[2-[4,5-dimethoxy-2-(4-phenylpiperazin-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 4.2066 indicates that 2-(4,5-dimethoxy-2-((4-phenylpiperazin-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 96.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-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-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 452089-53-1.
What is the molecular formula of 2-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is C32H31N3O6S.
What is the molecular weight of 2-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 585.19 g/mol.
Where can I buy 2-(4,5-dimethoxy-2-((4-phenylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-(4,5-dimethoxy-2-((4-phenylpiperazin-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-phenylpiperazin-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-phenylpiperazin-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.