Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester
TL;DR: Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester (CAS 104575-35-1) is a chemical compound with molecular formula C24H20FN3O10 and molecular weight 529.1133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethyl 3,4,5-triacetyloxybenzoate
Also Known As: Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester, 2-(2-(4-Fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate, 2-[2-(4-Fluorophenyl)-5-nitro-1H-imidazol-1-yl]ethyl 3,4,5-tris(acetyloxy)benzoate, 2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethyl 3,4,5-triacetyloxybenzoate
Technical Specifications
| Molecular Formula | C24H20FN3O10 |
| Molecular Weight | 529.1133 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 169.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 529.1133 Da |
| Heavy Atoms | 38 |
| Complexity | 865.0 |
| SMILES | CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCCN2C(=CN=C2C3=CC=C(C=C3)F)[N+](=O)[O-] |
| InChIKey | AIWLDVZNQACZRG-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester
Property Insights of Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester. The TPSA of 169.0 Ų indicates high polarity, suggesting Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester?
The CAS number of Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester is 104575-35-1.
What is the molecular formula of Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester?
The molecular formula of Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester is C24H20FN3O10.
What is the molecular weight of Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester?
The molecular weight of Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester is 529.1133 g/mol.
Where can I buy Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester?
You can request a quote for Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.