ChemDiv1_002773
TL;DR: ChemDiv1_002773 (CAS 324774-34-7) is a chemical compound with molecular formula C22H21N3O4S2 and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_002773, BAS 01057466, 2-{2-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione, 2-(2-(4-(thiophen-2-ylsulfonyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C22H21N3O4S2 |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 2.5038 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.09735 |
| Heavy Atoms | 31 |
| Complexity | 1212.4078 |
Chemical Identifiers
| CAS Number | 324774-34-7 |
|---|---|
| SMILES | C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)C5=CC=CS5 |
Product Overview
ChemDiv1_002773 (CAS 324774-34-7), with molecular formula C22H21N3O4S2 and molecular weight 455.10 g/mol. IUPAC: 2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_002773
Property Insights of ChemDiv1_002773
The XLogP value of 2.5038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002773. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002773. Following Lipinski's Rule of Five, ChemDiv1_002773 has 0 hydrogen bond donor(s) and 6 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_002773?
The CAS number of ChemDiv1_002773 is 324774-34-7.
What is the molecular formula of ChemDiv1_002773?
The molecular formula of ChemDiv1_002773 is C22H21N3O4S2.
What is the molecular weight of ChemDiv1_002773?
The molecular weight of ChemDiv1_002773 is 455.10 g/mol.
Where can I buy ChemDiv1_002773?
You can request a quote for ChemDiv1_002773 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002773?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002773 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.