4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 392301-44-9) is a chemical compound with molecular formula C17H11F4N3OS2 and molecular weight 413.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: F0417-1745, 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 4-fluoro-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide, 4-fluoro-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide, N-(5-{[p-(trifluoromethyl)phenyl]methylthio}-1,3,4-thiadiazol-2-yl)p-fluorobenzamide
| Molecular Formula | C17H11F4N3OS2 |
|---|---|
| Molecular Weight | 413.03 g/mol |
| LogP | 5.2406 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.02795 |
| Heavy Atoms | 27 |
| Complexity | 924.6016 |
Chemical Identifiers
| CAS Number | 392301-44-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)F)C(F)(F)F |
Product Overview
4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 392301-44-9), with molecular formula C17H11F4N3OS2 and molecular weight 413.03 g/mol. IUPAC: 4-fluoro-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 5.2406 indicates that 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide 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 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 392301-44-9.
What is the molecular formula of 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is C17H11F4N3OS2.
What is the molecular weight of 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 413.03 g/mol.
Where can I buy 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-fluoro-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.