1-Methyl-4-nitro-5-phenoxyimidazole
TL;DR: 1-Methyl-4-nitro-5-phenoxyimidazole (CAS 95862-48-9) is a chemical compound with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-nitro-5-phenoxyimidazole
Also Known As: 1-methyl-4-nitro-5-phenoxyimidazole, 1-Methyl-4-nitro-5-phenoxy-1H-imidazole, 1H-Imidazole, 1-methyl-4-nitro-5-phenoxy-, 1-Methyl-4-nitro-1H-imidazol-5-yl phenyl ether #, A2282/0096152
| Molecular Formula | C10H9N3O3 |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.06439 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 95862-48-9 |
|---|---|
| SMILES | CN1C=NC(=C1OC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | VMLJJTZTMKBFPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-4-nitro-5-phenoxyimidazole (CAS 95862-48-9), with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol. IUPAC: 1-methyl-4-nitro-5-phenoxyimidazole.
Chemical Property Profile of 1-Methyl-4-nitro-5-phenoxyimidazole
Property Insights of 1-Methyl-4-nitro-5-phenoxyimidazole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-nitro-5-phenoxyimidazole. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-nitro-5-phenoxyimidazole. Following Lipinski's Rule of Five, 1-Methyl-4-nitro-5-phenoxyimidazole has 0 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-Methyl-4-nitro-5-phenoxyimidazole?
The CAS number of 1-Methyl-4-nitro-5-phenoxyimidazole is 95862-48-9.
What is the molecular formula of 1-Methyl-4-nitro-5-phenoxyimidazole?
The molecular formula of 1-Methyl-4-nitro-5-phenoxyimidazole is C10H9N3O3.
What is the molecular weight of 1-Methyl-4-nitro-5-phenoxyimidazole?
The molecular weight of 1-Methyl-4-nitro-5-phenoxyimidazole is 219.06 g/mol.
Where can I buy 1-Methyl-4-nitro-5-phenoxyimidazole?
You can request a quote for 1-Methyl-4-nitro-5-phenoxyimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-nitro-5-phenoxyimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-nitro-5-phenoxyimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.