N-(4-Ethoxyphenyl)-2,4-dinitroaniline
TL;DR: N-(4-Ethoxyphenyl)-2,4-dinitroaniline (CAS 831-54-9) is a chemical compound with molecular formula C14H13N3O5 and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-2,4-dinitroaniline
Also Known As: N-(4-Ethoxyphenyl)-2,4-dinitroaniline, benzenamine, n-(4-ethoxyphenyl)-2,4-dinitro-, 4'-Ethoxy-2,4-dinitrodiphenylamine, (2,4-dinitrophenyl)(4-ethoxyphenyl)amine, 4 -Ethoxy-2,4-dinitrodiphenylamine
| Molecular Formula | C14H13N3O5 |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.0855 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 831-54-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WNMCDSUFVJWXLF-UHFFFAOYSA-N |
Product Overview
N-(4-Ethoxyphenyl)-2,4-dinitroaniline (CAS 831-54-9), with molecular formula C14H13N3O5 and molecular weight 303.09 g/mol. IUPAC: N-(4-ethoxyphenyl)-2,4-dinitroaniline.
Chemical Property Profile of N-(4-Ethoxyphenyl)-2,4-dinitroaniline
Property Insights of N-(4-Ethoxyphenyl)-2,4-dinitroaniline
The XLogP value of 4.1 indicates that N-(4-Ethoxyphenyl)-2,4-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Ethoxyphenyl)-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-(4-Ethoxyphenyl)-2,4-dinitroaniline has 1 hydrogen bond donor(s) and 6 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-(4-Ethoxyphenyl)-2,4-dinitroaniline?
The CAS number of N-(4-Ethoxyphenyl)-2,4-dinitroaniline is 831-54-9.
What is the molecular formula of N-(4-Ethoxyphenyl)-2,4-dinitroaniline?
The molecular formula of N-(4-Ethoxyphenyl)-2,4-dinitroaniline is C14H13N3O5.
What is the molecular weight of N-(4-Ethoxyphenyl)-2,4-dinitroaniline?
The molecular weight of N-(4-Ethoxyphenyl)-2,4-dinitroaniline is 303.09 g/mol.
Where can I buy N-(4-Ethoxyphenyl)-2,4-dinitroaniline?
You can request a quote for N-(4-Ethoxyphenyl)-2,4-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Ethoxyphenyl)-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Ethoxyphenyl)-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.