![5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate structure](/static/products/6802/680211-77-2.webp)
5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate
TL;DR: 5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate (CAS 680211-77-2) is a chemical compound with molecular formula C14H8F3N3O4 and molecular weight 339.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxido-N-[4-(trifluoromethoxy)phenyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide
Also Known As: 5-{[4-(trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate, 1-oxido-N-[4-(trifluoromethoxy)phenyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide, N-[4-(trifluoromethoxy)phenyl]-2,1,3-benzoxadiazole-5-carboxamide 1-oxide, 1-Oxo-N-[4-(trifluoromethoxy)phenyl]-2,1lambda~5~,3-benzoxadiazole-5-carboxamide, 5-([4-(TRIFLUOROMETHOXY)ANILINO]CARBONYL)-2,1,3-BENZOXADIAZOL-1-IUM-1-OLATE
| Molecular Formula | C14H8F3N3O4 |
|---|---|
| Molecular Weight | 339.05 g/mol |
| LogP | 2.6121 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.0467 |
| Heavy Atoms | 24 |
| Complexity | 890.4112 |
Chemical Identifiers
| CAS Number | 680211-77-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C2=CC3=NO[N+](=C3C=C2)[O-])OC(F)(F)F |
Product Overview
5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate (CAS 680211-77-2), with molecular formula C14H8F3N3O4 and molecular weight 339.05 g/mol. IUPAC: 1-oxido-N-[4-(trifluoromethoxy)phenyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide.
Chemical Property Profile of 5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate
Property Insights of 5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate
The XLogP value of 2.6121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate. Following Lipinski's Rule of Five, 5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate has 1 hydrogen bond donor(s) and 5 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-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate?
The CAS number of 5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate is 680211-77-2.
What is the molecular formula of 5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate?
The molecular formula of 5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate is C14H8F3N3O4.
What is the molecular weight of 5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate?
The molecular weight of 5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate is 339.05 g/mol.
Where can I buy 5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate?
You can request a quote for 5-{[4-(Trifluoromethoxy)anilino]carbonyl}-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-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.