Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester
TL;DR: Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester (CAS 136897-64-8) is a chemical compound with molecular formula C10H9F3O3 and molecular weight 234.05038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,4,5-trifluoro-3-methoxybenzoate
Also Known As: ethyl 2,4,5-trifluoro-3-methoxybenzoate, Ethyl 3-methoxy-2,4,5-trifluorobenzoate, Moxifloxacin Impurity 191, 2,4,5-Trifluoro-3-Methoxybenzoic Acid Ethyl Ester, Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester
Technical Specifications
| Molecular Formula | C10H9F3O3 |
| Molecular Weight | 234.05038 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.05038 Da |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
| SMILES | CCOC(=O)C1=CC(=C(C(=C1F)OC)F)F |
| InChIKey | ZXFYRSUEOKXKOQ-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester
Property Insights of Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester 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 Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester?
The CAS number of Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester is 136897-64-8.
What is the molecular formula of Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester?
The molecular formula of Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester is C10H9F3O3.
What is the molecular weight of Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester?
The molecular weight of Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester is 234.05038 g/mol.
Where can I buy Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester?
You can request a quote for Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2,4,5-trifluoro-3-methoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.