1-Butyl-2-methyl-4-nitro-1H-imidazole
TL;DR: 1-Butyl-2-methyl-4-nitro-1H-imidazole (CAS 135009-57-3) is a chemical compound with molecular formula C8H13N3O2 and molecular weight 183.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-2-methyl-4-nitroimidazole
Also Known As: 1-N-butyl-2-methyl-4-nitroimidazole, 1-butyl-2-methyl-4-nitro-1H-imidazole, 1-butyl-2-methyl-4-nitroimidazole, 1-butyl-2-methyl-4-nitro-imidazole, 1H-Imidazole,1-butyl-2-methyl-4-nitro-
Technical Specifications
| Molecular Formula | C8H13N3O2 |
| Molecular Weight | 183.10077 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.10077 Da |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
| SMILES | CCCCN1C=C(N=C1C)[N+](=O)[O-] |
| InChIKey | QZJVHLRSLFVNTO-UHFFFAOYSA-N |
Chemical Property Profile of 1-Butyl-2-methyl-4-nitro-1H-imidazole
Property Insights of 1-Butyl-2-methyl-4-nitro-1H-imidazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-2-methyl-4-nitro-1H-imidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-2-methyl-4-nitro-1H-imidazole. Following Lipinski's Rule of Five, 1-Butyl-2-methyl-4-nitro-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
What is the CAS number of 1-Butyl-2-methyl-4-nitro-1H-imidazole?
The CAS number of 1-Butyl-2-methyl-4-nitro-1H-imidazole is 135009-57-3.
What is the molecular formula of 1-Butyl-2-methyl-4-nitro-1H-imidazole?
The molecular formula of 1-Butyl-2-methyl-4-nitro-1H-imidazole is C8H13N3O2.
What is the molecular weight of 1-Butyl-2-methyl-4-nitro-1H-imidazole?
The molecular weight of 1-Butyl-2-methyl-4-nitro-1H-imidazole is 183.10077 g/mol.
Where can I buy 1-Butyl-2-methyl-4-nitro-1H-imidazole?
You can request a quote for 1-Butyl-2-methyl-4-nitro-1H-imidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Butyl-2-methyl-4-nitro-1H-imidazole?
Yes, CoreyChem provides custom synthesis services for 1-Butyl-2-methyl-4-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.