1-(4-Nitrophenyl)-1H-imidazole
TL;DR: 1-(4-Nitrophenyl)-1H-imidazole (CAS 2301-25-9) is a chemical compound with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)imidazole
Also Known As: 1-(4-Nitrophenyl)-1H-imidazole, 1-(4-Nitrophenyl)imidazole, 1H-Imidazole, 1-(4-nitrophenyl)-, Imidazole, 1-(p-nitrophenyl)-, (4-nitrophenyl)imidazole
| Molecular Formula | C9H7N3O2 |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.05383 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
| Solubility | >28.4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 2301-25-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C=CN=C2)[N+](=O)[O-] |
| InChIKey | PUCOOPJLAXJKOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Nitrophenyl)-1H-imidazole (CAS 2301-25-9), with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol. IUPAC: 1-(4-nitrophenyl)imidazole.
Chemical Property Profile of 1-(4-Nitrophenyl)-1H-imidazole
Property Insights of 1-(4-Nitrophenyl)-1H-imidazole
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)-1H-imidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-1H-imidazole. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-1H-imidazole has 0 hydrogen bond donor(s) and 3 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 1-(4-Nitrophenyl)-1H-imidazole?
The CAS number of 1-(4-Nitrophenyl)-1H-imidazole is 2301-25-9.
What is the molecular formula of 1-(4-Nitrophenyl)-1H-imidazole?
The molecular formula of 1-(4-Nitrophenyl)-1H-imidazole is C9H7N3O2.
What is the molecular weight of 1-(4-Nitrophenyl)-1H-imidazole?
The molecular weight of 1-(4-Nitrophenyl)-1H-imidazole is 189.05 g/mol.
Where can I buy 1-(4-Nitrophenyl)-1H-imidazole?
You can request a quote for 1-(4-Nitrophenyl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.