1H-Imidazole, 2-nitro-1,4,5-trimethyl-
TL;DR: 1H-Imidazole, 2-nitro-1,4,5-trimethyl- (CAS 6200-65-3) is a chemical compound with molecular formula C6H9N3O2 and molecular weight 155.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5-trimethyl-2-nitroimidazole
Also Known As: 1,4,5-Trimethyl-2-nitroimidazole, 1H-Imidazole, 2-nitro-1,4,5-trimethyl-, 2-Nitro-1,4,5-trimethyl-1H-imidazole, 1,4,5-trimethyl-2-nitro-1H-imidazole, 5-23-05-00181 (Beilstein Handbook Reference)
| Molecular Formula | C6H9N3O2 |
|---|---|
| Molecular Weight | 155.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.06947 |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 6200-65-3 |
|---|---|
| SMILES | CC1=C(N(C(=N1)[N+](=O)[O-])C)C |
| InChIKey | KGAOHUFMWYKBMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Imidazole, 2-nitro-1,4,5-trimethyl- (CAS 6200-65-3), with molecular formula C6H9N3O2 and molecular weight 155.07 g/mol. IUPAC: 1,4,5-trimethyl-2-nitroimidazole.
Chemical Property Profile of 1H-Imidazole, 2-nitro-1,4,5-trimethyl-
Property Insights of 1H-Imidazole, 2-nitro-1,4,5-trimethyl-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole, 2-nitro-1,4,5-trimethyl-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole, 2-nitro-1,4,5-trimethyl-. Following Lipinski's Rule of Five, 1H-Imidazole, 2-nitro-1,4,5-trimethyl- 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 1H-Imidazole, 2-nitro-1,4,5-trimethyl-?
The CAS number of 1H-Imidazole, 2-nitro-1,4,5-trimethyl- is 6200-65-3.
What is the molecular formula of 1H-Imidazole, 2-nitro-1,4,5-trimethyl-?
The molecular formula of 1H-Imidazole, 2-nitro-1,4,5-trimethyl- is C6H9N3O2.
What is the molecular weight of 1H-Imidazole, 2-nitro-1,4,5-trimethyl-?
The molecular weight of 1H-Imidazole, 2-nitro-1,4,5-trimethyl- is 155.07 g/mol.
Where can I buy 1H-Imidazole, 2-nitro-1,4,5-trimethyl-?
You can request a quote for 1H-Imidazole, 2-nitro-1,4,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole, 2-nitro-1,4,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole, 2-nitro-1,4,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.