2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate
TL;DR: 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate (CAS 104575-36-2) is a chemical compound with molecular formula C16H19N3O7 and molecular weight 365.12 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-trimethoxybenzoate
Also Known As: 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate, 4-Fluoro-1-methyl-5-nitro-1H-imidazole, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate, Benzoic acid, 3,4,5-trimethoxy-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
| Molecular Formula | C16H19N3O7 |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.1223 |
| Heavy Atoms | 26 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 104575-36-2 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC)[N+](=O)[O-] |
| InChIKey | SVTLMDWAMSAFIE-UHFFFAOYSA-N |
Product Overview
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate (CAS 104575-36-2), with molecular formula C16H19N3O7 and molecular weight 365.12 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate
Property Insights of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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-trimethoxybenzoate?
The CAS number of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate is 104575-36-2.
What is the molecular formula of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate?
The molecular formula of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate is C16H19N3O7.
What is the molecular weight of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate?
The molecular weight of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate is 365.12 g/mol.
Where can I buy 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate?
You can request a quote for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate 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-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.