N-ethyl-2,4,6-trinitroaniline
TL;DR: N-ethyl-2,4,6-trinitroaniline (CAS 7449-27-6) is a chemical compound with molecular formula C8H8N4O6 and molecular weight 256.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-2,4,6-trinitroaniline
Also Known As: N-Ethyl-2,4,6-trinitroaniline, 2-Methyl-5-nitro-2H-indazole, 2,4,6-Trinitro-N-ethylaniline, N-Ethyl-2,4,6-trinitrobenzenamine, Benzenamine, N-ethyl-2,4,6-trinitro-
| Molecular Formula | C8H8N4O6 |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.04437 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 7449-27-6 |
|---|---|
| SMILES | CCNC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JRLUWLIIVKSPPT-UHFFFAOYSA-N |
Product Overview
N-ethyl-2,4,6-trinitroaniline (CAS 7449-27-6), with molecular formula C8H8N4O6 and molecular weight 256.04 g/mol. IUPAC: N-ethyl-2,4,6-trinitroaniline.
Chemical Property Profile of N-ethyl-2,4,6-trinitroaniline
Property Insights of N-ethyl-2,4,6-trinitroaniline
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-2,4,6-trinitroaniline. The TPSA of 149.0 Ų indicates high polarity, suggesting N-ethyl-2,4,6-trinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-ethyl-2,4,6-trinitroaniline has 1 hydrogen bond donor(s) and 7 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-ethyl-2,4,6-trinitroaniline?
The CAS number of N-ethyl-2,4,6-trinitroaniline is 7449-27-6.
What is the molecular formula of N-ethyl-2,4,6-trinitroaniline?
The molecular formula of N-ethyl-2,4,6-trinitroaniline is C8H8N4O6.
What is the molecular weight of N-ethyl-2,4,6-trinitroaniline?
The molecular weight of N-ethyl-2,4,6-trinitroaniline is 256.04 g/mol.
Where can I buy N-ethyl-2,4,6-trinitroaniline?
You can request a quote for N-ethyl-2,4,6-trinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-2,4,6-trinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-2,4,6-trinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.