Imidazole, 5-butyl-1-methyl-2-nitro-
TL;DR: Imidazole, 5-butyl-1-methyl-2-nitro- (CAS 22796-70-9) is a chemical compound with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-1-methyl-2-nitroimidazole
Also Known As: 5-Butyl-1-methyl-2-nitroimidazole, Imidazole, 5-butyl-1-methyl-2-nitro-, 5-butyl-1-methyl-2-nitro-1h-imidazole, 1H-Imidazole, 5-butyl-1-methyl-2-nitro-, RefChem:348878
| Molecular Formula | C8H13N3O2 |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.10077 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 22796-70-9 |
|---|---|
| SMILES | CCCCC1=CN=C(N1C)[N+](=O)[O-] |
| InChIKey | YGRSFVUXNRPCJA-UHFFFAOYSA-N |
Product Overview
Imidazole, 5-butyl-1-methyl-2-nitro- (CAS 22796-70-9), with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol. IUPAC: 5-butyl-1-methyl-2-nitroimidazole.
Chemical Property Profile of Imidazole, 5-butyl-1-methyl-2-nitro-
Property Insights of Imidazole, 5-butyl-1-methyl-2-nitro-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole, 5-butyl-1-methyl-2-nitro-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazole, 5-butyl-1-methyl-2-nitro-. Following Lipinski's Rule of Five, Imidazole, 5-butyl-1-methyl-2-nitro- 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
Frequently Asked Questions
What is the CAS number of Imidazole, 5-butyl-1-methyl-2-nitro-?
The CAS number of Imidazole, 5-butyl-1-methyl-2-nitro- is 22796-70-9.
What is the molecular formula of Imidazole, 5-butyl-1-methyl-2-nitro-?
The molecular formula of Imidazole, 5-butyl-1-methyl-2-nitro- is C8H13N3O2.
What is the molecular weight of Imidazole, 5-butyl-1-methyl-2-nitro-?
The molecular weight of Imidazole, 5-butyl-1-methyl-2-nitro- is 183.10 g/mol.
Where can I buy Imidazole, 5-butyl-1-methyl-2-nitro-?
You can request a quote for Imidazole, 5-butyl-1-methyl-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole, 5-butyl-1-methyl-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Imidazole, 5-butyl-1-methyl-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.