![5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine structure](/static/products/3139/313966-75-5.webp)
5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine
TL;DR: 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine (CAS 313966-75-5) is a chemical compound with molecular formula C13H7F3N4O3 and molecular weight 324.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine
Also Known As: 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine, 5-nitro-4-[3-(trifluoromethyl)anilino]-2,1,3-benzoxadiazole, AH-034/11648009
| Molecular Formula | C13H7F3N4O3 |
|---|---|
| Molecular Weight | 324.05 g/mol |
| LogP | 3.8934 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.04703 |
| Heavy Atoms | 23 |
| Complexity | 891.5473 |
Chemical Identifiers
| CAS Number | 313966-75-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C=CC3=NON=C32)[N+](=O)[O-])C(F)(F)F |
Product Overview
5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine (CAS 313966-75-5), with molecular formula C13H7F3N4O3 and molecular weight 324.05 g/mol. IUPAC: 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine.
Chemical Property Profile of 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine
Property Insights of 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine
The XLogP value of 3.8934 indicates that 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine. Following Lipinski's Rule of Five, 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine 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 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine?
The CAS number of 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine is 313966-75-5.
What is the molecular formula of 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine?
The molecular formula of 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine is C13H7F3N4O3.
What is the molecular weight of 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine?
The molecular weight of 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine is 324.05 g/mol.
Where can I buy 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine?
You can request a quote for 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.