3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 392297-22-2) is a chemical compound with molecular formula C20H17F3N4O4S2 and molecular weight 498.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethoxy-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, F0417-0805, 3,5-dimethoxy-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide, 3,5-dimethoxy-N-{5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
| Molecular Formula | C20H17F3N4O4S2 |
|---|---|
| Molecular Weight | 498.06 g/mol |
| LogP | 4.5572 |
| Topological Polar Surface Area | 102.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.06433 |
| Heavy Atoms | 33 |
| Complexity | 1132.0837 |
Chemical Identifiers
| CAS Number | 392297-22-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3C(F)(F)F)OC |
Product Overview
3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 392297-22-2), with molecular formula C20H17F3N4O4S2 and molecular weight 498.06 g/mol. IUPAC: 3,5-dimethoxy-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 4.5572 indicates that 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide has 2 hydrogen bond donor(s) and 8 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 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 392297-22-2.
What is the molecular formula of 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is C20H17F3N4O4S2.
What is the molecular weight of 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 498.06 g/mol.
Where can I buy 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)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 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.