4-(3-Nitrophenyl)imidazole
TL;DR: 4-(3-Nitrophenyl)imidazole (CAS 40511-41-9) 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.
5-(3-nitrophenyl)-1H-imidazole
Also Known As: 5-(3-nitrophenyl)-1H-imidazole, 4-(3-nitrophenyl)-1h-imidazole, 4-(3-nitrophenyl)imidazole, 1H-Imidazole,5-(3-nitrophenyl)-, 5-(3-Nitro-phenyl)-1h-imidazole
| Molecular Formula | C9H7N3O2 |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 1.9849 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.05383 |
| Heavy Atoms | 14 |
| Complexity | 450.84045 |
Chemical Identifiers
| CAS Number | 40511-41-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CN=CN2 |
Product Overview
4-(3-Nitrophenyl)imidazole (CAS 40511-41-9), with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol. IUPAC: 5-(3-nitrophenyl)-1H-imidazole.
Chemical Property Profile of 4-(3-Nitrophenyl)imidazole
Property Insights of 4-(3-Nitrophenyl)imidazole
The XLogP value of 1.9849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Nitrophenyl)imidazole. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Nitrophenyl)imidazole. Following Lipinski's Rule of Five, 4-(3-Nitrophenyl)imidazole has 1 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 4-(3-Nitrophenyl)imidazole?
The CAS number of 4-(3-Nitrophenyl)imidazole is 40511-41-9.
What is the molecular formula of 4-(3-Nitrophenyl)imidazole?
The molecular formula of 4-(3-Nitrophenyl)imidazole is C9H7N3O2.
What is the molecular weight of 4-(3-Nitrophenyl)imidazole?
The molecular weight of 4-(3-Nitrophenyl)imidazole is 189.05 g/mol.
Where can I buy 4-(3-Nitrophenyl)imidazole?
You can request a quote for 4-(3-Nitrophenyl)imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Nitrophenyl)imidazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Nitrophenyl)imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.