N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
TL;DR: N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide (CAS 391875-12-0) is a chemical compound with molecular formula C18H12F3N3O2S2 and molecular weight 423.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
Also Known As: F0470-0366, N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide, N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide, N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(trifluoromethyl)benzamide
| Molecular Formula | C18H12F3N3O2S2 |
|---|---|
| Molecular Weight | 423.03 g/mol |
| LogP | 4.7842 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.03232 |
| Heavy Atoms | 28 |
| Complexity | 990.99585 |
Chemical Identifiers
| CAS Number | 391875-12-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3C(F)(F)F |
Product Overview
N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide (CAS 391875-12-0), with molecular formula C18H12F3N3O2S2 and molecular weight 423.03 g/mol. IUPAC: N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide.
Chemical Property Profile of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
Property Insights of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
The XLogP value of 4.7842 indicates that N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide. Following Lipinski's Rule of Five, N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide has 1 hydrogen bond donor(s) and 6 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 N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
The CAS number of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is 391875-12-0.
What is the molecular formula of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
The molecular formula of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is C18H12F3N3O2S2.
What is the molecular weight of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
The molecular weight of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is 423.03 g/mol.
Where can I buy N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
You can request a quote for N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.