4-Methoxy-3-methyl-1-nitroimidazol-3-ium
TL;DR: 4-Methoxy-3-methyl-1-nitroimidazol-3-ium (CAS 35687-41-3) is a chemical compound with molecular formula C5H8N3O3+ and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-methyl-1-nitroimidazol-3-ium
Also Known As: 5-methoxy-1-methyl-4-nitroimidazole, 1-Methyl-4-nitro-5-methoxy-imidazol, 4-methoxy-3-methyl-1-nitroimidazol-3-ium, 4-Methoxy-3-methyl-1-nitro-1H-imidazol-3-ium, 5-METHOXY-1-METHYL-3-NITRO-1H-IMIDAZOLE
| Molecular Formula | C5H8N3O3+ |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | -0.639 |
| Topological Polar Surface Area | 61.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.05656 |
| Heavy Atoms | 11 |
| Complexity | 280.50006 |
Chemical Identifiers
| CAS Number | 35687-41-3 |
|---|---|
| SMILES | C[N+]1=CN(C=C1OC)[N+](=O)[O-] |
Product Overview
4-Methoxy-3-methyl-1-nitroimidazol-3-ium (CAS 35687-41-3), with molecular formula C5H8N3O3+ and molecular weight 158.06 g/mol. IUPAC: 4-methoxy-3-methyl-1-nitroimidazol-3-ium.
Chemical Property Profile of 4-Methoxy-3-methyl-1-nitroimidazol-3-ium
Property Insights of 4-Methoxy-3-methyl-1-nitroimidazol-3-ium
The XLogP value of -0.639 indicates that 4-Methoxy-3-methyl-1-nitroimidazol-3-ium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-3-methyl-1-nitroimidazol-3-ium. Following Lipinski's Rule of Five, 4-Methoxy-3-methyl-1-nitroimidazol-3-ium 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 4-Methoxy-3-methyl-1-nitroimidazol-3-ium?
The CAS number of 4-Methoxy-3-methyl-1-nitroimidazol-3-ium is 35687-41-3.
What is the molecular formula of 4-Methoxy-3-methyl-1-nitroimidazol-3-ium?
The molecular formula of 4-Methoxy-3-methyl-1-nitroimidazol-3-ium is C5H8N3O3+.
What is the molecular weight of 4-Methoxy-3-methyl-1-nitroimidazol-3-ium?
The molecular weight of 4-Methoxy-3-methyl-1-nitroimidazol-3-ium is 158.06 g/mol.
Where can I buy 4-Methoxy-3-methyl-1-nitroimidazol-3-ium?
You can request a quote for 4-Methoxy-3-methyl-1-nitroimidazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-3-methyl-1-nitroimidazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-methyl-1-nitroimidazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.