4,5-dimethyl-2-nitro-1H-imidazole
TL;DR: 4,5-dimethyl-2-nitro-1H-imidazole (CAS 5213-47-8) is a chemical compound with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-2-nitro-1H-imidazole
Also Known As: 4,5-dimethyl-2-nitro-1H-imidazole, dimethyl nitroimidazole, 4,5-Dimethyl-2-nitroimidazole, Imidazole, 4,5-dimethyl-2-nitro-, 1H-Imidazole, 4,5-dimethyl-2-nitro-
| Molecular Formula | C5H7N3O2 |
|---|---|
| Molecular Weight | 141.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.05383 |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 5213-47-8 |
|---|---|
| SMILES | CC1=C(N=C(N1)[N+](=O)[O-])C |
| InChIKey | UQVVCXIRILGGCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-dimethyl-2-nitro-1H-imidazole (CAS 5213-47-8), with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol. IUPAC: 4,5-dimethyl-2-nitro-1H-imidazole.
Chemical Property Profile of 4,5-dimethyl-2-nitro-1H-imidazole
Property Insights of 4,5-dimethyl-2-nitro-1H-imidazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-dimethyl-2-nitro-1H-imidazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-dimethyl-2-nitro-1H-imidazole. Following Lipinski's Rule of Five, 4,5-dimethyl-2-nitro-1H-imidazole 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 4,5-dimethyl-2-nitro-1H-imidazole?
The CAS number of 4,5-dimethyl-2-nitro-1H-imidazole is 5213-47-8.
What is the molecular formula of 4,5-dimethyl-2-nitro-1H-imidazole?
The molecular formula of 4,5-dimethyl-2-nitro-1H-imidazole is C5H7N3O2.
What is the molecular weight of 4,5-dimethyl-2-nitro-1H-imidazole?
The molecular weight of 4,5-dimethyl-2-nitro-1H-imidazole is 141.05 g/mol.
Where can I buy 4,5-dimethyl-2-nitro-1H-imidazole?
You can request a quote for 4,5-dimethyl-2-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 4,5-dimethyl-2-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dimethyl-2-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.