(1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate
TL;DR: (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate (CAS 104575-37-3) is a chemical compound with molecular formula C18H17N3O10 and molecular weight 435.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-5-nitroimidazol-2-yl)methyl 3,4,5-triacetyloxybenzoate
Also Known As: (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate, Benzoic acid, 3,4,5-tris(acetyloxy)-, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester, (1-methyl-5-nitroimidazol-2-yl)methyl 3,4,5-triacetyloxybenzoate
| Molecular Formula | C18H17N3O10 |
|---|---|
| Molecular Weight | 435.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 435.0914 |
| Heavy Atoms | 31 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 104575-37-3 |
|---|---|
| SMILES | CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCC2=NC=C(N2C)[N+](=O)[O-] |
| InChIKey | BJRSXYCKMOHYOC-UHFFFAOYSA-N |
Product Overview
(1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate (CAS 104575-37-3), with molecular formula C18H17N3O10 and molecular weight 435.09 g/mol. IUPAC: (1-methyl-5-nitroimidazol-2-yl)methyl 3,4,5-triacetyloxybenzoate.
Chemical Property Profile of (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate
Property Insights of (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate. The TPSA of 169.0 Ų indicates high polarity, suggesting (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 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 (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate?
The CAS number of (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate is 104575-37-3.
What is the molecular formula of (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate?
The molecular formula of (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate is C18H17N3O10.
What is the molecular weight of (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate?
The molecular weight of (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate is 435.09 g/mol.
Where can I buy (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate?
You can request a quote for (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 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 (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.