diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate
TL;DR: diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate (CAS 65611-53-2) is a chemical compound with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate
Also Known As: diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate, 1H-Imidazole-4,5-dicarboxylic acid, 2-methyl-, diethyl ester, 2-Methyl-1H-imidazole-4,5-dicarboxylic acid diethyl ester, BAS 01130925, diethyl 2-methylimidazole-4,5-dicarboxylate
| Molecular Formula | C10H14N2O4 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.09535 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 65611-53-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N1)C)C(=O)OCC |
| InChIKey | YJQMMRDTIAPJRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate (CAS 65611-53-2), with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol. IUPAC: diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate.
Chemical Property Profile of diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate
Property Insights of diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate has 1 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 diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate?
The CAS number of diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate is 65611-53-2.
What is the molecular formula of diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate?
The molecular formula of diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate is C10H14N2O4.
What is the molecular weight of diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate?
The molecular weight of diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate is 226.10 g/mol.
Where can I buy diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate?
You can request a quote for diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.