ChemDiv1_004604
TL;DR: ChemDiv1_004604 (CAS 325694-65-3) is a chemical compound with molecular formula C28H24N4O5 and molecular weight 496.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_004604, BAS 03353194, 2-(2-(4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, F0733-0037, 3-(2-{4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
| Molecular Formula | C28H24N4O5 |
|---|---|
| Molecular Weight | 496.17 g/mol |
| LogP | 1.8762 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.17468 |
| Heavy Atoms | 37 |
| Complexity | 1405.1758 |
Chemical Identifiers
| CAS Number | 325694-65-3 |
|---|---|
| SMILES | C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)CN5C(=O)C6=CC=CC=C6C5=O |
Product Overview
ChemDiv1_004604 (CAS 325694-65-3), with molecular formula C28H24N4O5 and molecular weight 496.17 g/mol. IUPAC: 2-[2-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_004604
Property Insights of ChemDiv1_004604
The XLogP value of 1.8762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004604. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004604. Following Lipinski's Rule of Five, ChemDiv1_004604 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_004604?
The CAS number of ChemDiv1_004604 is 325694-65-3.
What is the molecular formula of ChemDiv1_004604?
The molecular formula of ChemDiv1_004604 is C28H24N4O5.
What is the molecular weight of ChemDiv1_004604?
The molecular weight of ChemDiv1_004604 is 496.17 g/mol.
Where can I buy ChemDiv1_004604?
You can request a quote for ChemDiv1_004604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004604?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.