F0464-0022
TL;DR: F0464-0022 (CAS 474621-45-9) is a chemical compound with molecular formula C23H17KN4O2S and molecular weight 452.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium 5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-phenyl-1,2,4-triazole-3-thiolate
Also Known As: F0464-0022, potassium [5-(3-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}propyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanide, potassium 5-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)-4-phenyl-4H-1,2,4-triazole-3-thiolate, potassium 5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-phenyl-1,2,4-triazole-3-thiolate, potassium;5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-phenyl-1,2,4-triazole-3-thiolate
| Molecular Formula | C23H17KN4O2S |
|---|---|
| Molecular Weight | 452.07 g/mol |
| LogP | 0.5591 |
| Topological Polar Surface Area | 68.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.07092 |
| Heavy Atoms | 31 |
| Complexity | 1238.736 |
Chemical Identifiers
| CAS Number | 474621-45-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2[S-])CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O.[K+] |
Product Overview
F0464-0022 (CAS 474621-45-9), with molecular formula C23H17KN4O2S and molecular weight 452.07 g/mol. IUPAC: potassium 5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-phenyl-1,2,4-triazole-3-thiolate.
Chemical Property Profile of F0464-0022
Property Insights of F0464-0022
The XLogP value of 0.5591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0464-0022. The TPSA of 68.09 Ų falls within the moderate polarity range, balancing permeability and solubility for F0464-0022. Following Lipinski's Rule of Five, F0464-0022 has 0 hydrogen bond donor(s) and 5 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 F0464-0022?
The CAS number of F0464-0022 is 474621-45-9.
What is the molecular formula of F0464-0022?
The molecular formula of F0464-0022 is C23H17KN4O2S.
What is the molecular weight of F0464-0022?
The molecular weight of F0464-0022 is 452.07 g/mol.
Where can I buy F0464-0022?
You can request a quote for F0464-0022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0464-0022?
Yes, KEHONG BIO provides custom synthesis services for F0464-0022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.