![1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone structure](/static/products/4024/402479-95-2.webp)
1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone
TL;DR: 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone (CAS 402479-95-2) is a chemical compound with molecular formula C17H11ClF3N3O2S and molecular weight 413.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Also Known As: 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone, 1-(4-Chlorophenyl)-2-({5-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)ethan-1-one, 1-(4-chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
| Molecular Formula | C17H11ClF3N3O2S |
|---|---|
| Molecular Weight | 413.02 g/mol |
| LogP | 5.08722 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.02127 |
| Heavy Atoms | 27 |
| Complexity | 974.3001 |
Chemical Identifiers
| CAS Number | 402479-95-2 |
|---|---|
| SMILES | CC1=C(C=CC(=N1)C(F)(F)F)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Cl |
Product Overview
1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone (CAS 402479-95-2), with molecular formula C17H11ClF3N3O2S and molecular weight 413.02 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone
Property Insights of 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone
The XLogP value of 5.08722 indicates that 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone?
The CAS number of 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone is 402479-95-2.
What is the molecular formula of 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone?
The molecular formula of 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone is C17H11ClF3N3O2S.
What is the molecular weight of 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone?
The molecular weight of 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone is 413.02 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone?
You can request a quote for 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.