![5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate structure](/static/products/650/650617-62-2.png)
5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate
TL;DR: 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate (CAS 650617-62-2) is a chemical compound with molecular formula C15H7F3N4O3 and molecular weight 348.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxido-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2,1,3-benzoxadiazol-1-ium
Also Known As: 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate, 1-oxido-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2,1,3-benzoxadiazol-1-ium
| Molecular Formula | C15H7F3N4O3 |
|---|---|
| Molecular Weight | 348.05 g/mol |
| LogP | 3.197 |
| Topological Polar Surface Area | 91.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.04703 |
| Heavy Atoms | 25 |
| Complexity | 1071.2622 |
Chemical Identifiers
| CAS Number | 650617-62-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=NOC(=N2)C3=CC4=NO[N+](=C4C=C3)[O-] |
Product Overview
5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate (CAS 650617-62-2), with molecular formula C15H7F3N4O3 and molecular weight 348.05 g/mol. IUPAC: 1-oxido-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2,1,3-benzoxadiazol-1-ium.
Chemical Property Profile of 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate
Property Insights of 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate
The XLogP value of 3.197 indicates that 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate. Following Lipinski's Rule of Five, 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate has 0 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 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate?
The CAS number of 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate is 650617-62-2.
What is the molecular formula of 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate?
The molecular formula of 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate is C15H7F3N4O3.
What is the molecular weight of 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate?
The molecular weight of 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate is 348.05 g/mol.
Where can I buy 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate?
You can request a quote for 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2,1,3-benzoxadiazol-1-ium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.