Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate
TL;DR: Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate (CAS 53324-19-9) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-hydroxy-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetate
Also Known As: Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate, methyl[4-hydroxy-2-(4-methylphenyl)-1h-imidazol-5-yl](oxo)acetate, 1H-Imidazole-4-acetic acid, 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-, methyl ester, (5-Hydroxy-2-p-tolyl-3H-imidazol-4-yl)-oxo-acetic acid methyl ester, Methyl [4-hydroxy-2-(4-methylphenyl)-1H-imidazol-5-yl](oxo)acetate
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 53324-19-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(N2)C(=O)C(=O)OC)O |
| InChIKey | IYCBBCWBJUPQOI-UHFFFAOYSA-N |
Product Overview
Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate (CAS 53324-19-9), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: methyl 2-[4-hydroxy-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetate.
Chemical Property Profile of Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate
Property Insights of Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate. Following Lipinski's Rule of Five, Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate 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 Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate?
The CAS number of Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate is 53324-19-9.
What is the molecular formula of Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate?
The molecular formula of Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate is C13H12N2O4.
What is the molecular weight of Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate?
The molecular weight of Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate is 260.08 g/mol.
Where can I buy Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate?
You can request a quote for Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-hydroxy-2-(4-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.