5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole
TL;DR: 5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole (CAS 64157-82-0) is a chemical compound with molecular formula C8H13N3O3 and molecular weight 199.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methoxypropan-2-yl)-1-methyl-2-nitroimidazole
Also Known As: 1-methyl-2-nitro-5-1h-imidazole, 1-Methyl-2-nitro-5- -1H-imidazole, 5-(2-methoxypropan-2-yl)-1-methyl-2-nitro-1h-imidazole, 5-(2-Methoxy-2-propyl)-1-methyl-2-nitroimidazole, 5-23-11-00043 (Beilstein Handbook Reference)
| Molecular Formula | C8H13N3O3 |
|---|---|
| Molecular Weight | 199.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.09569 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 64157-82-0 |
|---|---|
| SMILES | CC(C)(C1=CN=C(N1C)[N+](=O)[O-])OC |
| InChIKey | VNTUXFDKBZQALW-UHFFFAOYSA-N |
Product Overview
5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole (CAS 64157-82-0), with molecular formula C8H13N3O3 and molecular weight 199.10 g/mol. IUPAC: 5-(2-methoxypropan-2-yl)-1-methyl-2-nitroimidazole.
Chemical Property Profile of 5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole
Property Insights of 5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole. Following Lipinski's Rule of Five, 5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole has 0 hydrogen bond donor(s) and 4 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 5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole?
The CAS number of 5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole is 64157-82-0.
What is the molecular formula of 5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole?
The molecular formula of 5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole is C8H13N3O3.
What is the molecular weight of 5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole?
The molecular weight of 5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole is 199.10 g/mol.
Where can I buy 5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole?
You can request a quote for 5-(2-Methoxypropan-2-yl)-1-methyl-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 5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Methoxypropan-2-yl)-1-methyl-2-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.