5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole
TL;DR: 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole (CAS 35687-44-6) is a chemical compound with molecular formula C6H9N3O3 and molecular weight 171.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-1,2-dimethyl-4-nitroimidazole
Also Known As: 5-METHOXY-1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE, 5-methoxy-1,2-dimethyl-4-nitroimidazole, J1.618.349K, 1,2-Dimethyl-4-nitro-5-methoxy-1H-imidazole
| Molecular Formula | C6H9N3O3 |
|---|---|
| Molecular Weight | 171.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.06439 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 35687-44-6 |
|---|---|
| SMILES | CC1=NC(=C(N1C)OC)[N+](=O)[O-] |
| InChIKey | STAKOPCWRVTYFP-UHFFFAOYSA-N |
Product Overview
5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole (CAS 35687-44-6), with molecular formula C6H9N3O3 and molecular weight 171.06 g/mol. IUPAC: 5-methoxy-1,2-dimethyl-4-nitroimidazole.
Chemical Property Profile of 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole
Property Insights of 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole
The XLogP value of -0.1 indicates that 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole. Following Lipinski's Rule of Five, 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole 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 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole?
The CAS number of 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole is 35687-44-6.
What is the molecular formula of 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole?
The molecular formula of 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole is C6H9N3O3.
What is the molecular weight of 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole?
The molecular weight of 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole is 171.06 g/mol.
Where can I buy 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole?
You can request a quote for 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.