1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium
TL;DR: 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium (CAS 5230-93-3) is a chemical compound with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium
Also Known As: 1-hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium
| Molecular Formula | C16H13N3O4 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.0906 |
| Heavy Atoms | 23 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 5230-93-3 |
|---|---|
| SMILES | CC1=C(N(C(=[N+]1[O-])C2=CC=C(C=C2)[N+](=O)[O-])O)C3=CC=CC=C3 |
| InChIKey | XDJKLOIWMSEVQA-UHFFFAOYSA-N |
Product Overview
1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium (CAS 5230-93-3), with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol. IUPAC: 1-hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium.
Chemical Property Profile of 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium
Property Insights of 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium
The XLogP value of 3.3 indicates that 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium. Following Lipinski's Rule of Five, 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium 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 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium?
The CAS number of 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium is 5230-93-3.
What is the molecular formula of 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium?
The molecular formula of 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium is C16H13N3O4.
What is the molecular weight of 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium?
The molecular weight of 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium is 311.09 g/mol.
Where can I buy 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium?
You can request a quote for 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.