![4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide structure](/static/products/3923/392301-46-1.webp)
4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
TL;DR: 4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide (CAS 392301-46-1) is a chemical compound with molecular formula C21H20F3N3OS2 and molecular weight 451.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide, F0417-1747, 4-(tert-butyl)-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 4-tert-butyl-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C21H20F3N3OS2 |
|---|---|
| Molecular Weight | 451.10 g/mol |
| LogP | 6.399 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.09998 |
| Heavy Atoms | 30 |
| Complexity | 1007.7161 |
Chemical Identifiers
| CAS Number | 392301-46-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(F)(F)F |
Product Overview
4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide (CAS 392301-46-1), with molecular formula C21H20F3N3OS2 and molecular weight 451.10 g/mol. IUPAC: 4-tert-butyl-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
Property Insights of 4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
The XLogP value of 6.399 indicates that 4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-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-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-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-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide?
The CAS number of 4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide is 392301-46-1.
What is the molecular formula of 4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular formula of 4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide is C21H20F3N3OS2.
What is the molecular weight of 4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular weight of 4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide is 451.10 g/mol.
Where can I buy 4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide?
You can request a quote for 4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-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-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.