5-(1H-Imidazol-1-yl)-2-nitroaniline
TL;DR: 5-(1H-Imidazol-1-yl)-2-nitroaniline (CAS 131885-65-9) is a chemical compound with molecular formula C9H8N4O2 and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-imidazol-1-yl-2-nitroaniline
Also Known As: 1-(3-amino-4-nitrophenyl)-1h-imidazole, 5-(1H-Imidazol-1-yl)-2-nitroaniline, 5-imidazol-1-yl-2-nitro-aniline, 5-imidazol-1-yl-2-nitroaniline, 5-(imidazol-1-yl)-2-nitroaniline
| Molecular Formula | C9H8N4O2 |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | 1.3627 |
| Topological Polar Surface Area | 86.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.06473 |
| Heavy Atoms | 15 |
| Complexity | 492.8184 |
Chemical Identifiers
| CAS Number | 131885-65-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C=CN=C2)N)[N+](=O)[O-] |
Product Overview
5-(1H-Imidazol-1-yl)-2-nitroaniline (CAS 131885-65-9), with molecular formula C9H8N4O2 and molecular weight 204.06 g/mol. IUPAC: 5-imidazol-1-yl-2-nitroaniline.
Chemical Property Profile of 5-(1H-Imidazol-1-yl)-2-nitroaniline
Property Insights of 5-(1H-Imidazol-1-yl)-2-nitroaniline
The XLogP value of 1.3627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1H-Imidazol-1-yl)-2-nitroaniline. The TPSA of 86.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1H-Imidazol-1-yl)-2-nitroaniline. Following Lipinski's Rule of Five, 5-(1H-Imidazol-1-yl)-2-nitroaniline has 1 hydrogen bond donor(s) and 4 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 5-(1H-Imidazol-1-yl)-2-nitroaniline?
The CAS number of 5-(1H-Imidazol-1-yl)-2-nitroaniline is 131885-65-9.
What is the molecular formula of 5-(1H-Imidazol-1-yl)-2-nitroaniline?
The molecular formula of 5-(1H-Imidazol-1-yl)-2-nitroaniline is C9H8N4O2.
What is the molecular weight of 5-(1H-Imidazol-1-yl)-2-nitroaniline?
The molecular weight of 5-(1H-Imidazol-1-yl)-2-nitroaniline is 204.06 g/mol.
Where can I buy 5-(1H-Imidazol-1-yl)-2-nitroaniline?
You can request a quote for 5-(1H-Imidazol-1-yl)-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1H-Imidazol-1-yl)-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-(1H-Imidazol-1-yl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.