![5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate structure](/static/products/6552/655234-82-5.webp)
5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate
TL;DR: 5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate (CAS 655234-82-5) is a chemical compound with molecular formula C14H9F3N4O3 and molecular weight 338.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate, 1-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-3-[3-(trifluoromethyl)phenyl]urea, 5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate
| Molecular Formula | C14H9F3N4O3 |
|---|---|
| Molecular Weight | 338.06 g/mol |
| LogP | 3.124 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.06268 |
| Heavy Atoms | 24 |
| Complexity | 907.6612 |
Chemical Identifiers
| CAS Number | 655234-82-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)NC2=CC3=NO[N+](=C3C=C2)[O-])C(F)(F)F |
Product Overview
5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate (CAS 655234-82-5), with molecular formula C14H9F3N4O3 and molecular weight 338.06 g/mol. IUPAC: 1-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate
Property Insights of 5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate
The XLogP value of 3.124 indicates that 5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate. Following Lipinski's Rule of Five, 5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate has 2 hydrogen bond donor(s) and 4 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-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate?
The CAS number of 5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate is 655234-82-5.
What is the molecular formula of 5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate?
The molecular formula of 5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate is C14H9F3N4O3.
What is the molecular weight of 5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate?
The molecular weight of 5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate is 338.06 g/mol.
Where can I buy 5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate?
You can request a quote for 5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-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-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 5-({[3-(trifluoromethyl)anilino]carbonyl}amino)-2,1,3-benzoxadiazol-1-ium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.