![2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate structure](/static/products/2992/299207-98-0.webp)
2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate
TL;DR: 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate (CAS 299207-98-0) is a chemical compound with molecular formula C17H13F3N4O3S and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
Also Known As: 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate, 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-ol, N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide, 2-[(2-(2-Methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino)-2-oxoethyl)thio]pyridinium-1-olate, 2-{[({2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl}carbamoyl)methyl]sulfanyl}pyridin-1-ium-1-olate
| Molecular Formula | C17H13F3N4O3S |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 3.42802 |
| Topological Polar Surface Area | 94.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.06604 |
| Heavy Atoms | 28 |
| Complexity | 1007.30786 |
Chemical Identifiers
| CAS Number | 299207-98-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=NN=C(O2)C(F)(F)F)NC(=O)CSC3=CC=CC=[N+]3[O-] |
Product Overview
2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate (CAS 299207-98-0), with molecular formula C17H13F3N4O3S and molecular weight 410.07 g/mol. IUPAC: N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide.
Chemical Property Profile of 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate
Property Insights of 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate
The XLogP value of 3.42802 indicates that 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate. Following Lipinski's Rule of Five, 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate 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 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate?
The CAS number of 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate is 299207-98-0.
What is the molecular formula of 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate?
The molecular formula of 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate is C17H13F3N4O3S.
What is the molecular weight of 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate?
The molecular weight of 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate is 410.07 g/mol.
Where can I buy 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate?
You can request a quote for 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-{2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]anilino}-2-oxoethyl)thio]pyridinium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.