2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid
TL;DR: 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid (CAS 6866-57-5) is a chemical compound with molecular formula C9H5F3N2O2 and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid
Also Known As: 2-(Trifluoromethyl)-1H-benzo[d]imidazole-7-carboxylic acid, 2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid, 2-(Trifluoromethyl)-1H-1,3-benzodiazole-4-carboxylic acid, 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid, 2-(Trifluoromethyl)-1H-benzo[d]imidazole-4-carboxylic acid
| Molecular Formula | C9H5F3N2O2 |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.03032 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 6866-57-5 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)NC(=N2)C(F)(F)F)C(=O)O |
| InChIKey | HYGKNIWVMZCKJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid (CAS 6866-57-5), with molecular formula C9H5F3N2O2 and molecular weight 230.03 g/mol. IUPAC: 2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid.
Chemical Property Profile of 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid
Property Insights of 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid. Following Lipinski's Rule of Five, 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid has 2 hydrogen bond donor(s) and 6 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 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid?
The CAS number of 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid is 6866-57-5.
What is the molecular formula of 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid?
The molecular formula of 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid is C9H5F3N2O2.
What is the molecular weight of 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid?
The molecular weight of 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid is 230.03 g/mol.
Where can I buy 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid?
You can request a quote for 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(trifluoromethyl)-1H-1,3-benzodiazole-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.