3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate
TL;DR: 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate (CAS 121311-07-7) is a chemical compound with molecular formula C14H15F3N2O2 and molecular weight 300.10855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3,3-trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate
Also Known As: 3,3,3-trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate, 1-ethyl-2-methyl-5-benzimidazolecarboxylic acid 3,3,3-trifluoropropyl ester, 3,3,3-trifluoropropyl 1-ethyl-2-methyl-1H-benzimidazole-5-carboxylate, 3,3,3-trifluoropropyl 1-ethyl-2-methyl-1H-benzo[d]imidazole-5-carboxylate, 3,3,3-tris(fluoranyl)propyl 1-ethyl-2-methyl-benzimidazole-5-carboxylate
Technical Specifications
| Molecular Formula | C14H15F3N2O2 |
| Molecular Weight | 300.10855 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.10855 Da |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
| SMILES | CCN1C(=NC2=C1C=CC(=C2)C(=O)OCCC(F)(F)F)C |
| InChIKey | XUFVNOALQNDDRB-UHFFFAOYSA-N |
Chemical Property Profile of 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate
Property Insights of 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate
The XLogP value of 3.5 indicates that 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate has 0 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 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate?
The CAS number of 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate is 121311-07-7.
What is the molecular formula of 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate?
The molecular formula of 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate is C14H15F3N2O2.
What is the molecular weight of 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate?
The molecular weight of 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate is 300.10855 g/mol.
Where can I buy 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate?
You can request a quote for 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for 3,3,3-Trifluoropropyl 1-ethyl-2-methylbenzimidazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.