Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate
TL;DR: Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate (CAS 42545-22-2) is a chemical compound with molecular formula C8H10N2O4 and molecular weight 198.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-methylimidazole-4,5-dicarboxylate
Also Known As: Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate, dimethyl 1-methylimidazole-4,5-dicarboxylate, 4,5-dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate, 1-Methyl-1H-imidazole-4,5-dicarboxylic acid dimethyl ester, Dimethyl1-methyl-1H-imidazole-4,5-dicarboxylate
| Molecular Formula | C8H10N2O4 |
|---|---|
| Molecular Weight | 198.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.06406 |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 42545-22-2 |
|---|---|
| SMILES | CN1C=NC(=C1C(=O)OC)C(=O)OC |
| InChIKey | TVVHWULPVQHJLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate (CAS 42545-22-2), with molecular formula C8H10N2O4 and molecular weight 198.06 g/mol. IUPAC: dimethyl 1-methylimidazole-4,5-dicarboxylate.
Chemical Property Profile of Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate
Property Insights of Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate 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 Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate?
The CAS number of Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate is 42545-22-2.
What is the molecular formula of Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate?
The molecular formula of Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate is C8H10N2O4.
What is the molecular weight of Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate?
The molecular weight of Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate is 198.06 g/mol.
Where can I buy Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate?
You can request a quote for Dimethyl 1-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 Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1-methyl-1H-imidazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.