Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
TL;DR: Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester (CAS 111619-00-2) is a chemical compound with molecular formula C14H15N3O4 and molecular weight 289.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-phenylacetate
Also Known As: 2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl phenylacetate, Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-phenylacetate, 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-phenylacetate, Benzeneacetic acid,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
Technical Specifications
| Molecular Formula | C14H15N3O4 |
| Molecular Weight | 289.10626 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.10626 Da |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
| SMILES | CC1=NC=C(N1CCOC(=O)CC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | OSIQZATXFWLSAO-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
Property Insights of Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester?
The CAS number of Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester is 111619-00-2.
What is the molecular formula of Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester?
The molecular formula of Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester is C14H15N3O4.
What is the molecular weight of Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester?
The molecular weight of Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester is 289.10626 g/mol.
Where can I buy Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester?
You can request a quote for Benzeneacetic acid, 2-(2-methyl-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 Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.