Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate
TL;DR: Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate (CAS 5332-65-0) is a chemical compound with molecular formula C14H14N2O6 and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-1H-imidazol-5-yl]-2-oxoacetate
Also Known As: Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate, 1H-Imidazole-4-acetic acid, 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-, methyl ester, methyl[2-(3,4-dimethoxyphenyl)-4-hydroxy-1h-imidazol-5-yl](oxo)acetate, Methyl [2-(3,4-dimethoxyphenyl)-5-hydroxy-1H-imidazol-4-yl](oxo)acetate, [2-(3,4-Dimethoxy-phenyl)-5-hydroxy-3H-imidazol-4-yl]-oxo-acetic acid methyl ester
| Molecular Formula | C14H14N2O6 |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.08517 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 5332-65-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC(=C(N2)C(=O)C(=O)OC)O)OC |
| InChIKey | LKNXGGPSJGQZIU-UHFFFAOYSA-N |
Product Overview
Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate (CAS 5332-65-0), with molecular formula C14H14N2O6 and molecular weight 306.09 g/mol. IUPAC: methyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-1H-imidazol-5-yl]-2-oxoacetate.
Chemical Property Profile of Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate
Property Insights of Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate. Following Lipinski's Rule of Five, Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate has 2 hydrogen bond donor(s) and 7 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 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate?
The CAS number of Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate is 5332-65-0.
What is the molecular formula of Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate?
The molecular formula of Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate is C14H14N2O6.
What is the molecular weight of Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate?
The molecular weight of Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate is 306.09 g/mol.
Where can I buy Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate?
You can request a quote for Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-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 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3,4-dimethoxyphenyl)-5-hydroxy-alpha-oxo-1H-imidazole-4-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.