ChemDiv1_004776
TL;DR: ChemDiv1_004776 (CAS 325693-84-3) is a chemical compound with molecular formula C25H18FN3O3S and molecular weight 459.11 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-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
Also Known As: ChemDiv1_004776, F0478-0042, 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(4-(4-fluorophenyl)thiazol-2-yl)butanamide, 4-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide, 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
| Molecular Formula | C25H18FN3O3S |
|---|---|
| Molecular Weight | 459.11 g/mol |
| LogP | 5.1173 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.1053 |
| Heavy Atoms | 33 |
| Complexity | 1347.0568 |
Chemical Identifiers
| CAS Number | 325693-84-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NC4=NC(=CS4)C5=CC=C(C=C5)F |
Product Overview
ChemDiv1_004776 (CAS 325693-84-3), with molecular formula C25H18FN3O3S and molecular weight 459.11 g/mol. IUPAC: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide.
Chemical Property Profile of ChemDiv1_004776
Property Insights of ChemDiv1_004776
The XLogP value of 5.1173 indicates that ChemDiv1_004776 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004776. Following Lipinski's Rule of Five, ChemDiv1_004776 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004776?
The CAS number of ChemDiv1_004776 is 325693-84-3.
What is the molecular formula of ChemDiv1_004776?
The molecular formula of ChemDiv1_004776 is C25H18FN3O3S.
What is the molecular weight of ChemDiv1_004776?
The molecular weight of ChemDiv1_004776 is 459.11 g/mol.
Where can I buy ChemDiv1_004776?
You can request a quote for ChemDiv1_004776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004776?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.