Imidazol-4-ylacetate
TL;DR: Imidazol-4-ylacetate (CAS 110493-31-7) is a chemical compound with molecular formula C5H5N2O2- and molecular weight 125.0351 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1H-imidazol-5-yl)acetate
Also Known As: imidazol-4-ylacetate, Imidazole-4-acetate, 4-Imidazoleacetate, imidazoleacetic acid, 2-(1H-imidazol-5-yl)acetate
Technical Specifications
| Molecular Formula | C5H5N2O2- |
| Molecular Weight | 125.0351 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 125.0351 Da |
| Heavy Atoms | 9 |
| Complexity | 110.0 |
| SMILES | C1=C(NC=N1)CC(=O)[O-] |
| InChIKey | PRJKNHOMHKJCEJ-UHFFFAOYSA-M |
Chemical Property Profile of Imidazol-4-ylacetate
Property Insights of Imidazol-4-ylacetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazol-4-ylacetate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazol-4-ylacetate. Following Lipinski's Rule of Five, Imidazol-4-ylacetate 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 Imidazol-4-ylacetate?
The CAS number of Imidazol-4-ylacetate is 110493-31-7.
What is the molecular formula of Imidazol-4-ylacetate?
The molecular formula of Imidazol-4-ylacetate is C5H5N2O2-.
What is the molecular weight of Imidazol-4-ylacetate?
The molecular weight of Imidazol-4-ylacetate is 125.0351 g/mol.
Where can I buy Imidazol-4-ylacetate?
You can request a quote for Imidazol-4-ylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Imidazol-4-ylacetate?
Yes, CoreyChem provides custom synthesis services for Imidazol-4-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.