2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-
TL;DR: 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)- (CAS 251297-90-2) is a chemical compound with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-5-nitroimidazol-4-yl)propan-2-one
Also Known As: 1-(3-methyl-5-nitroimidazol-4-yl)propan-2-one, 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-, 1-(1-Methyl-4-nitro-1H-imidazol-5-yl)acetone, J1.967.761C, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)propan-2-one
| Molecular Formula | C7H9N3O3 |
|---|---|
| Molecular Weight | 183.06 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.06439 |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 251297-90-2 |
|---|---|
| SMILES | CC(=O)CC1=C(N=CN1C)[N+](=O)[O-] |
| InChIKey | QDDLHCXACQUXCK-UHFFFAOYSA-N |
Product Overview
2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)- (CAS 251297-90-2), with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol. IUPAC: 1-(3-methyl-5-nitroimidazol-4-yl)propan-2-one.
Chemical Property Profile of 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-
Property Insights of 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-
The XLogP value of -0.9 indicates that 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-. Following Lipinski's Rule of Five, 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)- 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 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-?
The CAS number of 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)- is 251297-90-2.
What is the molecular formula of 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-?
The molecular formula of 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)- is C7H9N3O3.
What is the molecular weight of 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-?
The molecular weight of 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)- is 183.06 g/mol.
Where can I buy 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-?
You can request a quote for 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.