Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester
TL;DR: Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester (CAS 89426-88-0) is a chemical compound with molecular formula C10H7F3N2O2 and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(trifluoromethyl)-3H-benzimidazole-5-carboxylate
Also Known As: methyl 2-(trifluoromethyl)-1H-benzimidazole-5-carboxylate, ZERO/001893, methyl 2-(trifluoromethyl)-3H-benzimidazole-5-carboxylate, 2-(Trifluoromethyl)benzimidazole-5-carboxylic acid methyl ester, methyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylate
| Molecular Formula | C10H7F3N2O2 |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.04596 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 89426-88-0 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)N=C(N2)C(F)(F)F |
| InChIKey | PHZVAKSKMBVEHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester (CAS 89426-88-0), with molecular formula C10H7F3N2O2 and molecular weight 244.05 g/mol. IUPAC: methyl 2-(trifluoromethyl)-3H-benzimidazole-5-carboxylate.
Chemical Property Profile of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester
Property Insights of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester. With a topological polar surface area (TPSA) of 55.0 Ų, Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl 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
Frequently Asked Questions
What is the CAS number of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester?
The CAS number of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester is 89426-88-0.
What is the molecular formula of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester?
The molecular formula of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester is C10H7F3N2O2.
What is the molecular weight of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester?
The molecular weight of Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester is 244.05 g/mol.
Where can I buy Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester?
You can request a quote for Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.