1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide
TL;DR: 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide (CAS 111730-64-4) is a chemical compound with molecular formula C10H10N2O3 and molecular weight 206.06914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-hydroxybenzimidazole-2-carboxylate
Also Known As: ethyl 1-hydroxybenzimidazole-2-carboxylate, 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide, ethyl benzimidazole-2-carboxylate N-oxide, Ethyl 1-hydroxybenzoimidazole-2-carboxylate, Ethyl 1-hydroxy-1H-1,3-benzimidazole-2-carboxylate
Technical Specifications
| Molecular Formula | C10H10N2O3 |
| Molecular Weight | 206.06914 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.06914 Da |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
| SMILES | CCOC(=O)C1=NC2=CC=CC=C2N1O |
| InChIKey | CGWFLKJXBWRHGK-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide
Property Insights of 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide. Following Lipinski's Rule of Five, 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide?
The CAS number of 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide is 111730-64-4.
What is the molecular formula of 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide?
The molecular formula of 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide is C10H10N2O3.
What is the molecular weight of 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide?
The molecular weight of 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide is 206.06914 g/mol.
Where can I buy 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide?
You can request a quote for 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide?
Yes, CoreyChem provides custom synthesis services for 1H-Benzimidazole-2-carboxylic acid, ethyl ester, 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.