![N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine structure](/static/products/5342/5342-20-1.webp)
N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine
TL;DR: N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine (CAS 5342-20-1) is a chemical compound with molecular formula C13H5ClF3N5O5 and molecular weight 402.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine
Also Known As: N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine, N-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-2,4-DINITRO-8-OXA-7,9-DIAZABICYCLO[4.3.0]NONA-2,4,6,9-TETRAEN-5-AMINE
| Molecular Formula | C13H5ClF3N5O5 |
|---|---|
| Molecular Weight | 402.99 g/mol |
| LogP | 4.455 |
| Topological Polar Surface Area | 137.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.99313 |
| Heavy Atoms | 27 |
| Complexity | 1084.123 |
Chemical Identifiers
| CAS Number | 5342-20-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)NC2=C(C=C(C3=NON=C23)[N+](=O)[O-])[N+](=O)[O-])Cl |
Product Overview
N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine (CAS 5342-20-1), with molecular formula C13H5ClF3N5O5 and molecular weight 402.99 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine.
Chemical Property Profile of N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine
Property Insights of N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine
The XLogP value of 4.455 indicates that N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine. Following Lipinski's Rule of Five, N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine has 1 hydrogen bond donor(s) and 8 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]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine?
The CAS number of N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine is 5342-20-1.
What is the molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine?
The molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine is C13H5ClF3N5O5.
What is the molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine?
The molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine is 402.99 g/mol.
Where can I buy N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine?
You can request a quote for N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-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 N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[2-chloro-5-(trifluoromethyl)phenyl]-5,7-dinitro-2,1,3-benzoxadiazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.