methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate
TL;DR: methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate (CAS 141388-50-3) is a chemical compound with molecular formula C11H9N3O4 and molecular weight 247.05931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-imidazol-1-yl-3-nitrobenzoate
Also Known As: methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate, methyl 4-imidazol-1-yl-3-nitrobenzoate, methyl 4-imidazolyl-3-nitrobenzoate, 3G-355S, methyl 4-imidazol-1-yl-3-nitro-benzoate
Technical Specifications
| Molecular Formula | C11H9N3O4 |
| Molecular Weight | 247.05931 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.05931 Da |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
| SMILES | COC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-] |
| InChIKey | OGIAQDKVKDHIID-UHFFFAOYSA-N |
Chemical Property Profile of methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate
Property Insights of methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate. Following Lipinski's Rule of Five, methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate?
The CAS number of methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate is 141388-50-3.
What is the molecular formula of methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate?
The molecular formula of methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate is C11H9N3O4.
What is the molecular weight of methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate?
The molecular weight of methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate is 247.05931 g/mol.
Where can I buy methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate?
You can request a quote for methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for methyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.