ChemDiv1_004866
TL;DR: ChemDiv1_004866 (CAS 325694-89-1) is a chemical compound with molecular formula C24H22ClN3O4S and molecular weight 483.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_004866, BIM-0043781.P001, 2-(2-(4-((4-chlorophenyl)sulfonyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, AF-399/13633004, F0733-0023
| Molecular Formula | C24H22ClN3O4S |
|---|---|
| Molecular Weight | 483.10 g/mol |
| LogP | 3.0957 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.10196 |
| Heavy Atoms | 33 |
| Complexity | 1299.1368 |
Chemical Identifiers
| CAS Number | 325694-89-1 |
|---|---|
| SMILES | C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)C5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_004866 (CAS 325694-89-1), with molecular formula C24H22ClN3O4S and molecular weight 483.10 g/mol. IUPAC: 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_004866
Property Insights of ChemDiv1_004866
The XLogP value of 3.0957 indicates that ChemDiv1_004866 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004866. Following Lipinski's Rule of Five, ChemDiv1_004866 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 ChemDiv1_004866?
The CAS number of ChemDiv1_004866 is 325694-89-1.
What is the molecular formula of ChemDiv1_004866?
The molecular formula of ChemDiv1_004866 is C24H22ClN3O4S.
What is the molecular weight of ChemDiv1_004866?
The molecular weight of ChemDiv1_004866 is 483.10 g/mol.
Where can I buy ChemDiv1_004866?
You can request a quote for ChemDiv1_004866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004866?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.