ChemDiv1_004820
TL;DR: ChemDiv1_004820 (CAS 325693-85-4) is a chemical compound with molecular formula C26H23N5O5S2 and molecular weight 549.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide
Also Known As: ChemDiv1_004820, F0478-0043, AF-399/37305039, 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide, 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)butanamide
| Molecular Formula | C26H23N5O5S2 |
|---|---|
| Molecular Weight | 549.11 g/mol |
| LogP | 4.0694 |
| Topological Polar Surface Area | 138.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.1141 |
| Heavy Atoms | 38 |
| Complexity | 1614.3674 |
Chemical Identifiers
| CAS Number | 325693-85-4 |
|---|---|
| SMILES | CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
ChemDiv1_004820 (CAS 325693-85-4), with molecular formula C26H23N5O5S2 and molecular weight 549.11 g/mol. IUPAC: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide.
Chemical Property Profile of ChemDiv1_004820
Property Insights of ChemDiv1_004820
The XLogP value of 4.0694 indicates that ChemDiv1_004820 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004820. Following Lipinski's Rule of Five, ChemDiv1_004820 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004820?
The CAS number of ChemDiv1_004820 is 325693-85-4.
What is the molecular formula of ChemDiv1_004820?
The molecular formula of ChemDiv1_004820 is C26H23N5O5S2.
What is the molecular weight of ChemDiv1_004820?
The molecular weight of ChemDiv1_004820 is 549.11 g/mol.
Where can I buy ChemDiv1_004820?
You can request a quote for ChemDiv1_004820 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004820?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004820 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.