1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester
TL;DR: 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester (CAS 166332-53-2) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-benzoyl-3-methylimidazole-4-carboxylate
Also Known As: methyl 2-benzoyl-3-methylimidazole-4-carboxylate, Methyl 2-benzoyl-3-methyl-imidazole-4-carboxylate, 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester, Methyl 2-benzoyl-1-methyl-1H-imidazole-5-carboxylate, 1H-Imidazole-5-carboxylic acid,2-benzoyl-1-methyl-,methyl ester
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 1.4377 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 587.53876 |
Chemical Identifiers
| CAS Number | 166332-53-2 |
|---|---|
| SMILES | CN1C(=CN=C1C(=O)C2=CC=CC=C2)C(=O)OC |
Product Overview
1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester (CAS 166332-53-2), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: methyl 2-benzoyl-3-methylimidazole-4-carboxylate.
Chemical Property Profile of 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester
Property Insights of 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester
The XLogP value of 1.4377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester. Following Lipinski's Rule of Five, 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester has 0 hydrogen bond donor(s) and 4 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 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester?
The CAS number of 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester is 166332-53-2.
What is the molecular formula of 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester?
The molecular formula of 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester is C13H12N2O3.
What is the molecular weight of 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester?
The molecular weight of 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester is 244.08 g/mol.
Where can I buy 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester?
You can request a quote for 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-5-carboxylic acid, 2-benzoyl-1-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.