C17H9BrFN3OS
TL;DR: C17H9BrFN3OS (CAS 618852-99-6) is a chemical compound with molecular formula C17H9BrFN3OS and molecular weight 400.96338 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[(4-bromophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: AS-871/42094948, (Z)-5-(4-bromobenzylidene)-2-(4-fluorophenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-(4-bromobenzylidene)-2-(4-fluorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (5Z)-5-[(4-BROMOPHENYL)METHYLIDENE]-2-(4-FLUOROPHENYL)-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-6-ONE
Technical Specifications
| Molecular Formula | C17H9BrFN3OS |
| Molecular Weight | 400.96338 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.96338 Da |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
| SMILES | C1=CC(=CC=C1/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)F)S2)Br |
| InChIKey | JWTCPJAFVCKSSR-ZROIWOOFSA-N |
Chemical Property Profile of C17H9BrFN3OS
Property Insights of C17H9BrFN3OS
The XLogP value of 5.1 indicates that C17H9BrFN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H9BrFN3OS. Following Lipinski's Rule of Five, C17H9BrFN3OS has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C17H9BrFN3OS?
The CAS number of C17H9BrFN3OS is 618852-99-6.
What is the molecular formula of C17H9BrFN3OS?
The molecular formula of C17H9BrFN3OS is C17H9BrFN3OS.
What is the molecular weight of C17H9BrFN3OS?
The molecular weight of C17H9BrFN3OS is 400.96338 g/mol.
Where can I buy C17H9BrFN3OS?
You can request a quote for C17H9BrFN3OS directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C17H9BrFN3OS?
Yes, CoreyChem provides custom synthesis services for C17H9BrFN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.