1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid
TL;DR: 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid (CAS 282091-90-1) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-acetyloxyethyl)-2-methylbenzimidazole-5-carboxylic acid
Also Known As: 1-(2-acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid, BAS 00004193, 1-(2-acetyloxyethyl)-2-methylbenzimidazole-5-carboxylic acid, 1-(2-Acetoxy-ethyl)-2-methyl-1H-benzoimidazole-5-carboxylic acid, 1-(2-Acetoxyethyl)-2-methyl-1H-benzo[d]imidazole-5-carboxylic acid
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 282091-90-1 |
|---|---|
| SMILES | CC1=NC2=C(N1CCOC(=O)C)C=CC(=C2)C(=O)O |
| InChIKey | IHHWJXUODPWVQF-UHFFFAOYSA-N |
Product Overview
1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid (CAS 282091-90-1), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: 1-(2-acetyloxyethyl)-2-methylbenzimidazole-5-carboxylic acid.
Chemical Property Profile of 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid
Property Insights of 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid. Following Lipinski's Rule of Five, 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid has 1 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 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid?
The CAS number of 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid is 282091-90-1.
What is the molecular formula of 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid?
The molecular formula of 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid is C13H14N2O4.
What is the molecular weight of 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid?
The molecular weight of 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid is 262.10 g/mol.
Where can I buy 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid?
You can request a quote for 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Acetoxyethyl)-2-methyl-1h-benzoimidazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.