1-Methyl-2-nitrosoimidazole
TL;DR: 1-Methyl-2-nitrosoimidazole (CAS 116169-87-0) is a chemical compound with molecular formula C4H5N3O and molecular weight 111.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-nitrosoimidazole
Also Known As: 1-Methyl-2-nitrosoimidazole, 1-Mni, Antox W, 1H-Imidazole, 1-methyl-2-nitroso-, 1-Methyl-2-nitroso-1H-imidazole
| Molecular Formula | C4H5N3O |
|---|---|
| Molecular Weight | 111.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.04326 |
| Heavy Atoms | 8 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 116169-87-0 |
|---|---|
| SMILES | CN1C=CN=C1N=O |
| InChIKey | DQGMASZUGMDEFA-UHFFFAOYSA-N |
Product Overview
1-Methyl-2-nitrosoimidazole (CAS 116169-87-0), with molecular formula C4H5N3O and molecular weight 111.04 g/mol. IUPAC: 1-methyl-2-nitrosoimidazole.
Chemical Property Profile of 1-Methyl-2-nitrosoimidazole
Property Insights of 1-Methyl-2-nitrosoimidazole
The XLogP value of -0.3 indicates that 1-Methyl-2-nitrosoimidazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.3 Ų, 1-Methyl-2-nitrosoimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-nitrosoimidazole 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 1-Methyl-2-nitrosoimidazole?
The CAS number of 1-Methyl-2-nitrosoimidazole is 116169-87-0.
What is the molecular formula of 1-Methyl-2-nitrosoimidazole?
The molecular formula of 1-Methyl-2-nitrosoimidazole is C4H5N3O.
What is the molecular weight of 1-Methyl-2-nitrosoimidazole?
The molecular weight of 1-Methyl-2-nitrosoimidazole is 111.04 g/mol.
Where can I buy 1-Methyl-2-nitrosoimidazole?
You can request a quote for 1-Methyl-2-nitrosoimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-nitrosoimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-nitrosoimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.