2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate
TL;DR: 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate (CAS 104575-34-0) is a chemical compound with molecular formula C19H19N3O10 and molecular weight 449.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3,4,5-triacetyloxybenzoate
Also Known As: 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate, Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3,4,5-triacetyloxybenzoate
| Molecular Formula | C19H19N3O10 |
|---|---|
| Molecular Weight | 449.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 449.10706 |
| Heavy Atoms | 32 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 104575-34-0 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)C2=CC(=C(C(=C2)OC(=O)C)OC(=O)C)OC(=O)C)[N+](=O)[O-] |
| InChIKey | QVPVOHFTLQBVHC-UHFFFAOYSA-N |
Product Overview
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate (CAS 104575-34-0), with molecular formula C19H19N3O10 and molecular weight 449.11 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3,4,5-triacetyloxybenzoate.
Chemical Property Profile of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate
Property Insights of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate. The TPSA of 169.0 Ų indicates high polarity, suggesting 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate?
The CAS number of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate is 104575-34-0.
What is the molecular formula of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate?
The molecular formula of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate is C19H19N3O10.
What is the molecular weight of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate?
The molecular weight of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate is 449.11 g/mol.
Where can I buy 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate?
You can request a quote for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.