Diethyl 1H-imidazole-4,5-dicarboxylate
TL;DR: Diethyl 1H-imidazole-4,5-dicarboxylate (CAS 1080-79-1) is a chemical compound with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1H-imidazole-4,5-dicarboxylate
Also Known As: Diethyl 1H-imidazole-4,5-dicarboxylate, Diethyl 4,5-imidazole-1H-4,5-dicarboxylate, 4,5-diethyl 1H-imidazole-4,5-dicarboxylate, IFLab1_000276, Diethyl 4,5-Imidazoledicarboxylate
| Molecular Formula | C9H12N2O4 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.07971 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 1080-79-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=CN1)C(=O)OCC |
| InChIKey | NQKKUSLBNWTXQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 1H-imidazole-4,5-dicarboxylate (CAS 1080-79-1), with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol. IUPAC: diethyl 1H-imidazole-4,5-dicarboxylate.
Chemical Property Profile of Diethyl 1H-imidazole-4,5-dicarboxylate
Property Insights of Diethyl 1H-imidazole-4,5-dicarboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1H-imidazole-4,5-dicarboxylate. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1H-imidazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 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 1H-imidazole-4,5-dicarboxylate?
The CAS number of Diethyl 1H-imidazole-4,5-dicarboxylate is 1080-79-1.
What is the molecular formula of Diethyl 1H-imidazole-4,5-dicarboxylate?
The molecular formula of Diethyl 1H-imidazole-4,5-dicarboxylate is C9H12N2O4.
What is the molecular weight of Diethyl 1H-imidazole-4,5-dicarboxylate?
The molecular weight of Diethyl 1H-imidazole-4,5-dicarboxylate is 212.08 g/mol.
Where can I buy Diethyl 1H-imidazole-4,5-dicarboxylate?
You can request a quote for Diethyl 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 1H-imidazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1H-imidazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.