2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid
TL;DR: 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid (CAS 1001737-19-4) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyclohexyl-3H-benzimidazole-5-carboxylic acid
Also Known As: 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid, 2-cyclohexyl-3H-benzimidazole-5-carboxylic acid, 2-Cyclohexyl-1H-benzoimidazole-5-carboxylic acid, 2-Cyclohexyl-1H-benzo[d]imidazole-5-carboxylic acid, 2-cyclohexyl-3H-benzoimidazole-5-carboxylic Acid
Technical Specifications
| Molecular Formula | C14H16N2O2 |
| Molecular Weight | 244.12119 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.12119 Da |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
| SMILES | C1CCC(CC1)C2=NC3=C(N2)C=C(C=C3)C(=O)O |
| InChIKey | JDGFRUWJKZVOMZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid
Property Insights of 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid
The XLogP value of 3.2 indicates that 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid?
The CAS number of 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid is 1001737-19-4.
What is the molecular formula of 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid?
The molecular formula of 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid is C14H16N2O2.
What is the molecular weight of 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid?
The molecular weight of 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid is 244.12119 g/mol.
Where can I buy 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid?
You can request a quote for 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-cyclohexyl-1H-1,3-benzodiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.