Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester
TL;DR: Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester (CAS 89457-09-0) is a chemical compound with molecular formula C11H9F3N2O2 and molecular weight 258.0616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(trifluoromethyl)-3H-benzimidazole-5-carboxylate
Also Known As: ethyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylate, 2331AF, ethyl 2-(trifluoromethyl)-3H-benzimidazole-5-carboxylate, 2-(Trifluoromethyl)benzimidazole-5-carboxylic acid ethyl ester, ethyl 2-(trifluoromethyl)-1H-benzimidazolyl-5-carboxylate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H9F3N2O2 |
| Molecular Weight | 258.0616 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.0616 Da |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N=C(N2)C(F)(F)F |
| InChIKey | WOQXCSGTWFKUSU-UHFFFAOYSA-N |
Chemical Property Profile of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester
Property Insights of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester
The XLogP value of 3.1 indicates that Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.0 Ų, Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester?
The CAS number of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester is 89457-09-0.
What is the molecular formula of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester?
The molecular formula of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester is C11H9F3N2O2.
What is the molecular weight of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester?
The molecular weight of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester is 258.0616 g/mol.
Where can I buy Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester?
You can request a quote for Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.