ChemDiv1_004779
TL;DR: ChemDiv1_004779 (CAS 324774-56-3) is a chemical compound with molecular formula C29H30N4O6S and molecular weight 562.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(4-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_004779, DivK1c_005621, CDS1_004581, BAS 01150700, BIM-0030095.P001
| Molecular Formula | C29H30N4O6S |
|---|---|
| Molecular Weight | 562.19 g/mol |
| LogP | 1.9147 |
| Topological Polar Surface Area | 107.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 562.1886 |
| Heavy Atoms | 40 |
| Complexity | 1525.062 |
Chemical Identifiers
| CAS Number | 324774-56-3 |
|---|---|
| SMILES | C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6 |
Product Overview
ChemDiv1_004779 (CAS 324774-56-3), with molecular formula C29H30N4O6S and molecular weight 562.19 g/mol. IUPAC: 2-[2-[4-(4-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_004779
Property Insights of ChemDiv1_004779
The XLogP value of 1.9147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004779. The TPSA of 107.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004779. Following Lipinski's Rule of Five, ChemDiv1_004779 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 ChemDiv1_004779?
The CAS number of ChemDiv1_004779 is 324774-56-3.
What is the molecular formula of ChemDiv1_004779?
The molecular formula of ChemDiv1_004779 is C29H30N4O6S.
What is the molecular weight of ChemDiv1_004779?
The molecular weight of ChemDiv1_004779 is 562.19 g/mol.
Where can I buy ChemDiv1_004779?
You can request a quote for ChemDiv1_004779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004779?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.