2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline
TL;DR: 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline (CAS 109825-47-0) is a chemical compound with molecular formula C16H15N5O8 and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-N-(2,4-dinitrophenyl)-4,6-dinitroaniline
Also Known As: 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline, 2-tert-butyl-N-(2,4-dinitrophenyl)-4,6-dinitroaniline, Benzenamine, 2-(1,1-dimethylethyl)-N-(2,4-dinitrophenyl)-4,6-dinitro-, N-(2,4-dinitrophenyl)-2,4-dinitro-6-tert-butyl-aniline, RefChem:254793
| Molecular Formula | C16H15N5O8 |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.09207 |
| Heavy Atoms | 29 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 109825-47-0 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MRWCOHWHJMMLRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline (CAS 109825-47-0), with molecular formula C16H15N5O8 and molecular weight 405.09 g/mol. IUPAC: 2-tert-butyl-N-(2,4-dinitrophenyl)-4,6-dinitroaniline.
Chemical Property Profile of 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline
Property Insights of 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline
The XLogP value of 5.0 indicates that 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.0 Ų indicates high polarity, suggesting 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline has 1 hydrogen bond donor(s) and 9 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 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline?
The CAS number of 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline is 109825-47-0.
What is the molecular formula of 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline?
The molecular formula of 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline is C16H15N5O8.
What is the molecular weight of 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline?
The molecular weight of 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline is 405.09 g/mol.
Where can I buy 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline?
You can request a quote for 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butyl)-N-(2,4-dinitrophenyl)-4,6-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.