4-(1H-imidazol-4-yl)-2,6-dinitroaniline
TL;DR: 4-(1H-imidazol-4-yl)-2,6-dinitroaniline (CAS 72798-71-1) is a chemical compound with molecular formula C9H7N5O4 and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-imidazol-5-yl)-2,6-dinitroaniline
Also Known As: 4-(1H-imidazol-4-yl)-2,6-dinitroaniline, 4-(1H-imidazol-5-yl)-2,6-dinitroaniline, 4-imidazol-4-yl-2,6-dinitrophenylamine, BAS 00288687, 4-(1H-imidazol-5-yl)-2,6-dinitro-aniline
| Molecular Formula | C9H7N5O4 |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 1.4753 |
| Topological Polar Surface Area | 140.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0498 |
| Heavy Atoms | 18 |
| Complexity | 586.88824 |
Chemical Identifiers
| CAS Number | 72798-71-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C2=CN=CN2 |
Product Overview
4-(1H-imidazol-4-yl)-2,6-dinitroaniline (CAS 72798-71-1), with molecular formula C9H7N5O4 and molecular weight 249.05 g/mol. IUPAC: 4-(1H-imidazol-5-yl)-2,6-dinitroaniline.
Chemical Property Profile of 4-(1H-imidazol-4-yl)-2,6-dinitroaniline
Property Insights of 4-(1H-imidazol-4-yl)-2,6-dinitroaniline
The XLogP value of 1.4753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-imidazol-4-yl)-2,6-dinitroaniline. The TPSA of 140.98 Ų indicates high polarity, suggesting 4-(1H-imidazol-4-yl)-2,6-dinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(1H-imidazol-4-yl)-2,6-dinitroaniline has 2 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 4-(1H-imidazol-4-yl)-2,6-dinitroaniline?
The CAS number of 4-(1H-imidazol-4-yl)-2,6-dinitroaniline is 72798-71-1.
What is the molecular formula of 4-(1H-imidazol-4-yl)-2,6-dinitroaniline?
The molecular formula of 4-(1H-imidazol-4-yl)-2,6-dinitroaniline is C9H7N5O4.
What is the molecular weight of 4-(1H-imidazol-4-yl)-2,6-dinitroaniline?
The molecular weight of 4-(1H-imidazol-4-yl)-2,6-dinitroaniline is 249.05 g/mol.
Where can I buy 4-(1H-imidazol-4-yl)-2,6-dinitroaniline?
You can request a quote for 4-(1H-imidazol-4-yl)-2,6-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-imidazol-4-yl)-2,6-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-imidazol-4-yl)-2,6-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.