Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-
TL;DR: Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)- (CAS 5973-53-5) is a chemical compound with molecular formula C12H14F3N3O4 and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dinitro-N-pentan-3-yl-4-(trifluoromethyl)aniline
Also Known As: 2,6-dinitro-N-pentan-3-yl-4-(trifluoromethyl)aniline, Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-, N-(3-pentyl)-2,6-dinitro-4-trifluoromethylaniline, (Dinitro-trifluoromethyl-phenyl)-(1-ethyl-propyl)-amine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline
| Molecular Formula | C12H14F3N3O4 |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.09363 |
| Heavy Atoms | 22 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 5973-53-5 |
|---|---|
| SMILES | CCC(CC)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | UASSGOXNPFOKPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)- (CAS 5973-53-5), with molecular formula C12H14F3N3O4 and molecular weight 321.09 g/mol. IUPAC: 2,6-dinitro-N-pentan-3-yl-4-(trifluoromethyl)aniline.
Chemical Property Profile of Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-
Property Insights of Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-
The XLogP value of 4.3 indicates that Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-. Following Lipinski's Rule of Five, Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)- 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 Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-?
The CAS number of Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)- is 5973-53-5.
What is the molecular formula of Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-?
The molecular formula of Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)- is C12H14F3N3O4.
What is the molecular weight of Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-?
The molecular weight of Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)- is 321.09 g/mol.
Where can I buy Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-?
You can request a quote for Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.