2-甲基-5-硝基咪唑
TL;DR: 2-甲基-5-硝基咪唑 (CAS 696-23-1) 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.
2-甲基-5-硝基咪唑
2-methyl-5-nitro-1H-imidazole
Also Known As: 2-Methyl-5-nitroimidazole, 2-Methyl-5-nitro-1H-imidazole, Menidazole, 2-Methyl-4-nitroimidazole, 2-METHYL-4-NITRO-1H-IMIDAZOLE
| Molecular Formula | C4H5N3O2 |
|---|---|
| Molecular Weight | 127.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.03818 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 696-23-1 |
|---|---|
| SMILES | CC1=NC=C(N1)[N+](=O)[O-] |
| InChIKey | FFYTTYVSDVWNMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-5-硝基咪唑 (CAS 696-23-1), with molecular formula C4H5N3O2 and molecular weight 127.04 g/mol. IUPAC: 2-methyl-5-nitro-1H-imidazole.
Chemical Property Profile of 2-甲基-5-硝基咪唑
Property Insights of 2-甲基-5-硝基咪唑
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-5-硝基咪唑. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-甲基-5-硝基咪唑. Following Lipinski's Rule of Five, 2-甲基-5-硝基咪唑 has 1 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 2-甲基-5-硝基咪唑?
The CAS number of 2-甲基-5-硝基咪唑 is 696-23-1.
What is the molecular formula of 2-甲基-5-硝基咪唑?
The molecular formula of 2-甲基-5-硝基咪唑 is C4H5N3O2.
What is the molecular weight of 2-甲基-5-硝基咪唑?
The molecular weight of 2-甲基-5-硝基咪唑 is 127.04 g/mol.
Where can I buy 2-甲基-5-硝基咪唑?
You can request a quote for 2-甲基-5-硝基咪唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-5-硝基咪唑?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-5-硝基咪唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.