1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro-
TL;DR: 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro- (CAS 67254-83-5) is a chemical compound with molecular formula C8H9N3O3 and molecular weight 195.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(3-methyl-2-nitroimidazol-4-yl)but-3-en-2-one
Also Known As: 4- -3-buten-2-one, 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro-, 4-(1-Methyl-2-nitro-1H-imidazol-5-yl)-3-buten-2-one, 5-(2-Acetylvinyl)-1-methyl-2-nitro-1H-imidazole, 5-24-02-00240 (Beilstein Handbook Reference)
| Molecular Formula | C8H9N3O3 |
|---|---|
| Molecular Weight | 195.06 g/mol |
| LogP | 0.9305 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.06439 |
| Heavy Atoms | 14 |
| Complexity | 405.96405 |
Chemical Identifiers
| CAS Number | 67254-83-5 |
|---|---|
| SMILES | CC(=O)/C=C/C1=CN=C(N1C)[N+](=O)[O-] |
Product Overview
1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro- (CAS 67254-83-5), with molecular formula C8H9N3O3 and molecular weight 195.06 g/mol. IUPAC: (E)-4-(3-methyl-2-nitroimidazol-4-yl)but-3-en-2-one.
Chemical Property Profile of 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro-
Property Insights of 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro-
The XLogP value of 0.9305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro-. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro-. Following Lipinski's Rule of Five, 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro- 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 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro-?
The CAS number of 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro- is 67254-83-5.
What is the molecular formula of 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro-?
The molecular formula of 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro- is C8H9N3O3.
What is the molecular weight of 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro-?
The molecular weight of 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro- is 195.06 g/mol.
Where can I buy 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro-?
You can request a quote for 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.