1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro-
TL;DR: 1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro- (CAS 25459-12-5) is a chemical compound with molecular formula C8H13N3O4S and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-ethylsulfonylethyl)-2-methyl-4-nitroimidazole
Also Known As: Isotinidazole, tinidazole, Tinidazole EP Impurity B, Tinidazole Impurity B, 4-Nitro-5-desnitro Tinidazole
| Molecular Formula | C8H13N3O4S |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.06268 |
| Heavy Atoms | 16 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 25459-12-5 |
|---|---|
| SMILES | CCS(=O)(=O)CCN1C=C(N=C1C)[N+](=O)[O-] |
| InChIKey | GHJQUSZGINOURI-UHFFFAOYSA-N |
Product Overview
1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro- (CAS 25459-12-5), with molecular formula C8H13N3O4S and molecular weight 247.06 g/mol. IUPAC: 1-(2-ethylsulfonylethyl)-2-methyl-4-nitroimidazole.
Chemical Property Profile of 1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro-
Property Insights of 1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro-
The XLogP value of -0.2 indicates that 1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro-. Following Lipinski's Rule of Five, 1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro- has 0 hydrogen bond donor(s) and 5 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, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro-?
The CAS number of 1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro- is 25459-12-5.
What is the molecular formula of 1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro-?
The molecular formula of 1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro- is C8H13N3O4S.
What is the molecular weight of 1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro-?
The molecular weight of 1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro- is 247.06 g/mol.
Where can I buy 1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro-?
You can request a quote for 1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-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, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.