Ethyl 4(5)-imidazolecarboxylate
TL;DR: Ethyl 4(5)-imidazolecarboxylate (CAS 23785-21-9) is a chemical compound with molecular formula C6H8N2O2 and molecular weight 140.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1H-imidazole-5-carboxylate
Also Known As: Ethyl 1H-imidazole-4-carboxylate, Ethyl imidazole-4-carboxylate, Ethyl 1H-imidazole-5-carboxylate, Ethyl 4-imidazolecarboxylate, Etomidate impurity 9
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8N2O2 |
| Molecular Weight | 140.05858 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.05858 Da |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
| SMILES | CCOC(=O)C1=CN=CN1 |
| InChIKey | KLWYPRNPRNPORS-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4(5)-imidazolecarboxylate
Property Insights of Ethyl 4(5)-imidazolecarboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4(5)-imidazolecarboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, Ethyl 4(5)-imidazolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4(5)-imidazolecarboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 4(5)-imidazolecarboxylate?
The CAS number of Ethyl 4(5)-imidazolecarboxylate is 23785-21-9.
What is the molecular formula of Ethyl 4(5)-imidazolecarboxylate?
The molecular formula of Ethyl 4(5)-imidazolecarboxylate is C6H8N2O2.
What is the molecular weight of Ethyl 4(5)-imidazolecarboxylate?
The molecular weight of Ethyl 4(5)-imidazolecarboxylate is 140.05858 g/mol.
Where can I buy Ethyl 4(5)-imidazolecarboxylate?
You can request a quote for Ethyl 4(5)-imidazolecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4(5)-imidazolecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4(5)-imidazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.