![N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine structure](/static/products/3321/332163-81-2.webp)
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine
TL;DR: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 332163-81-2) is a chemical compound with molecular formula C13H6ClF3N4O3 and molecular weight 358.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine
Also Known As: BAS 01237125, N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine, 5-[2-chloro-5-(trifluoromethyl)anilino]-4-nitro-2,1,3-benzoxadiazole, (2-Chloro-5-trifluoromethyl-phenyl)-(4-nitro-benzo[1,2,5]oxadiazol-5-yl)-amine, [2-chloro-5-(trifluoromethyl)phenyl](4-nitrobenzo[c]1,2,5-oxadiazol-5-yl)amine
| Molecular Formula | C13H6ClF3N4O3 |
|---|---|
| Molecular Weight | 358.01 g/mol |
| LogP | 4.5468 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.00806 |
| Heavy Atoms | 24 |
| Complexity | 941.84686 |
Chemical Identifiers
| CAS Number | 332163-81-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-])Cl |
Product Overview
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 332163-81-2), with molecular formula C13H6ClF3N4O3 and molecular weight 358.01 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine
Property Insights of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine
The XLogP value of 4.5468 indicates that N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-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 N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine. Following Lipinski's Rule of Five, N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-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 N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine?
The CAS number of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine is 332163-81-2.
What is the molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine is C13H6ClF3N4O3.
What is the molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine is 358.01 g/mol.
Where can I buy N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine?
You can request a quote for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitro-2,1,3-benzoxadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.