Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate
TL;DR: Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate (CAS 51919-80-3) is a chemical compound with molecular formula C14H18N2O6S and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1-phenylethyl)imidazole-4-carboxylate;sulfuric acid
Also Known As: Etomidate sulfate, Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate, ethyl 3-(1-phenylethyl)imidazole-4-carboxylate; sulfuric acid, (-)-ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate, Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (R)- sulfate (1:1)
| Molecular Formula | C14H18N2O6S |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 2.0163 |
| Topological Polar Surface Area | 118.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.08856 |
| Heavy Atoms | 23 |
| Complexity | 718.7356 |
Chemical Identifiers
| CAS Number | 51919-80-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2.OS(=O)(=O)O |
Product Overview
Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate (CAS 51919-80-3), with molecular formula C14H18N2O6S and molecular weight 342.09 g/mol. IUPAC: ethyl 3-(1-phenylethyl)imidazole-4-carboxylate;sulfuric acid.
Chemical Property Profile of Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate
Property Insights of Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate
The XLogP value of 2.0163 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate. The TPSA of 118.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate. Following Lipinski's Rule of Five, Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate has 2 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 Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate?
The CAS number of Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate is 51919-80-3.
What is the molecular formula of Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate?
The molecular formula of Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate is C14H18N2O6S.
What is the molecular weight of Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate?
The molecular weight of Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate is 342.09 g/mol.
Where can I buy Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate?
You can request a quote for Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.