4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5
TL;DR: 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5 (CAS 78857-86-0) is a chemical compound with molecular formula C21H22F3N3O9 and molecular weight 517.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine
Also Known As: 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5, 4'- -AMINOBENZO-15-CROWN-5, N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine, 4'-(2,4-Dinitro-6-trifluoromethylphenyl)-aminobenzo-15-crown-5, 4'-(2,4-Dinitro-6-(trifluoromethyl)phenyl)-aminobenzo-15-crown-5
| Molecular Formula | C21H22F3N3O9 |
|---|---|
| Molecular Weight | 517.13 g/mol |
| LogP | 4.0864 |
| Topological Polar Surface Area | 144.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 517.1308 |
| Heavy Atoms | 36 |
| Complexity | 1082.5739 |
Chemical Identifiers
| CAS Number | 78857-86-0 |
|---|---|
| SMILES | C1COCCOC2=C(C=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F)OCCOCCO1 |
Product Overview
4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5 (CAS 78857-86-0), with molecular formula C21H22F3N3O9 and molecular weight 517.13 g/mol. IUPAC: N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine.
Chemical Property Profile of 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5
Property Insights of 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5
The XLogP value of 4.0864 indicates that 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.46 Ų indicates high polarity, suggesting 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5?
The CAS number of 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5 is 78857-86-0.
What is the molecular formula of 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5?
The molecular formula of 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5 is C21H22F3N3O9.
What is the molecular weight of 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5?
The molecular weight of 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5 is 517.13 g/mol.
Where can I buy 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5?
You can request a quote for 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5?
Yes, KEHONG BIO provides custom synthesis services for 4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.