1-Methyl-2-nitroimidazole
TL;DR: 1-Methyl-2-nitroimidazole (CAS 1671-82-5) is a chemical compound with molecular formula C4H5N3O2 and molecular weight 127.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-nitroimidazole
Also Known As: 1-Methyl-2-nitroimidazole, 1-METHYL-2-NITRO-1H-IMIDAZOLE, 1H-Imidazole, 1-methyl-2-nitro-, Imidazole, 1-methyl-2-nitro-, 2-Nitro-1-methylimidazole
| Molecular Formula | C4H5N3O2 |
|---|---|
| Molecular Weight | 127.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.03818 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 1671-82-5 |
|---|---|
| SMILES | CN1C=CN=C1[N+](=O)[O-] |
| InChIKey | HBMINVNVQUDERA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-2-nitroimidazole (CAS 1671-82-5), with molecular formula C4H5N3O2 and molecular weight 127.04 g/mol. IUPAC: 1-methyl-2-nitroimidazole.
Chemical Property Profile of 1-Methyl-2-nitroimidazole
Property Insights of 1-Methyl-2-nitroimidazole
The XLogP value of -0.2 indicates that 1-Methyl-2-nitroimidazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-2-nitroimidazole. Following Lipinski's Rule of Five, 1-Methyl-2-nitroimidazole 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-nitroimidazole?
The CAS number of 1-Methyl-2-nitroimidazole is 1671-82-5.
What is the molecular formula of 1-Methyl-2-nitroimidazole?
The molecular formula of 1-Methyl-2-nitroimidazole is C4H5N3O2.
What is the molecular weight of 1-Methyl-2-nitroimidazole?
The molecular weight of 1-Methyl-2-nitroimidazole is 127.04 g/mol.
Where can I buy 1-Methyl-2-nitroimidazole?
You can request a quote for 1-Methyl-2-nitroimidazole 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-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.