3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 392301-55-2) is a chemical compound with molecular formula C19H16F3N3O3S2 and molecular weight 455.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 3,4-dimethoxy-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide, F0417-1763, 3,4-dimethoxy-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C19H16F3N3O3S2 |
|---|---|
| Molecular Weight | 455.06 g/mol |
| LogP | 5.1187 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.05853 |
| Heavy Atoms | 30 |
| Complexity | 1023.8544 |
Chemical Identifiers
| CAS Number | 392301-55-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(F)(F)F)OC |
Product Overview
3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 392301-55-2), with molecular formula C19H16F3N3O3S2 and molecular weight 455.06 g/mol. IUPAC: 3,4-dimethoxy-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 5.1187 indicates that 3,4-dimethoxy-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. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 392301-55-2.
What is the molecular formula of 3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is C19H16F3N3O3S2.
What is the molecular weight of 3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 455.06 g/mol.
Where can I buy 3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 3,4-dimethoxy-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 3,4-dimethoxy-N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethoxy-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.