Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate
TL;DR: Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate (CAS 82831-19-4) is a chemical compound with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-2-oxo-1,3-dihydroimidazole-4-carboxylate
Also Known As: ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate, ethyl 5-methyl-2-oxo-1,3-dihydroimidazole-4-carboxylate, Ethyl 5-methyl-2-oxo-1H,3H-imidazolin-4-carboxylate, ETHYL5-METHYL-2-OXO-1H,3H-IMIDAZOLIN-4-CARBOXYLATE, (5-methyl-2-oxo-4-imidazolin-4-yl)carboxylic acid ethyl ester
| Molecular Formula | C7H10N2O3 |
|---|---|
| Molecular Weight | 170.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.06914 |
| Heavy Atoms | 12 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 82831-19-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)N1)C |
| InChIKey | CNIUYOLZVQXGAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate (CAS 82831-19-4), with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol. IUPAC: ethyl 5-methyl-2-oxo-1,3-dihydroimidazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate
Property Insights of Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate
The XLogP value of -0.1 indicates that Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate 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 Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate?
The CAS number of Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate is 82831-19-4.
What is the molecular formula of Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate?
The molecular formula of Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate is C7H10N2O3.
What is the molecular weight of Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate?
The molecular weight of Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate is 170.07 g/mol.
Where can I buy Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate?
You can request a quote for Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.