Desmethyletimizol
TL;DR: Desmethyletimizol (CAS 91401-22-8) is a chemical compound with molecular formula C8H12N4O2 and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-5-N-methylimidazole-4,5-dicarboxamide
Also Known As: Desmethyletimizol, 1-Ethyl-4-carbamoyl-5-methylcarbamoylimidazole, 1-ethyl-n5-methyl-1h-imidazole-4,5-dicarboxamide, 1-ethyl-5-N-methylimidazole-4,5-dicarboxamide, 1-Ethyl-N(sup 5)-methyl-1H-imidazole-4,5-dicarboxamide
| Molecular Formula | C8H12N4O2 |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.09602 |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 91401-22-8 |
|---|---|
| SMILES | CCN1C=NC(=C1C(=O)NC)C(=O)N |
| InChIKey | HMGGQLSRJXFGRN-UHFFFAOYSA-N |
Product Overview
Desmethyletimizol (CAS 91401-22-8), with molecular formula C8H12N4O2 and molecular weight 196.10 g/mol. IUPAC: 1-ethyl-5-N-methylimidazole-4,5-dicarboxamide.
Chemical Property Profile of Desmethyletimizol
Property Insights of Desmethyletimizol
The XLogP value of -0.9 indicates that Desmethyletimizol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Desmethyletimizol. Following Lipinski's Rule of Five, Desmethyletimizol has 2 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 Desmethyletimizol?
The CAS number of Desmethyletimizol is 91401-22-8.
What is the molecular formula of Desmethyletimizol?
The molecular formula of Desmethyletimizol is C8H12N4O2.
What is the molecular weight of Desmethyletimizol?
The molecular weight of Desmethyletimizol is 196.10 g/mol.
Where can I buy Desmethyletimizol?
You can request a quote for Desmethyletimizol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethyletimizol?
Yes, KEHONG BIO provides custom synthesis services for Desmethyletimizol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.