![2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione structure](/static/products/3046/304645-27-0.webp)
2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione (CAS 304645-27-0) is a chemical compound with molecular formula C24H22ClN3O2S and molecular weight 451.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(4-chlorophenyl)sulfanylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione, 2-[2-[4-(4-chlorophenyl)sulfanylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione, 2-(2-{4-[(4-Chlorophenyl)sulfanyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C24H22ClN3O2S |
|---|---|
| Molecular Weight | 451.11 g/mol |
| LogP | 4.4141 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.11212 |
| Heavy Atoms | 31 |
| Complexity | 1092.5245 |
Chemical Identifiers
| CAS Number | 304645-27-0 |
|---|---|
| SMILES | C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)SC5=CC=C(C=C5)Cl |
Product Overview
2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione (CAS 304645-27-0), with molecular formula C24H22ClN3O2S and molecular weight 451.11 g/mol. IUPAC: 2-[2-[4-(4-chlorophenyl)sulfanylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione
The XLogP value of 4.4141 indicates that 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione 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 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione is 304645-27-0.
What is the molecular formula of 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione is C24H22ClN3O2S.
What is the molecular weight of 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione is 451.11 g/mol.
Where can I buy 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[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-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-[4-[(4-Chlorophenyl)thio]-1-piperazinyl]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.