N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide
TL;DR: N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide (CAS 28997-31-1) is a chemical compound with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]isoindole-1,3-dione
Also Known As: N-[2- ethyl]phthalimide, N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide, 2-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione, 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]isoindole-1,3-dione, N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]phthalimide
| Molecular Formula | C14H12N4O4 |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.08585 |
| Heavy Atoms | 22 |
| Complexity | 468.0 |
| Solubility | 44.3 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 28997-31-1 |
|---|---|
| SMILES | CC1=NC=C(N1CCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-] |
| InChIKey | JIYZWSLKPBBNTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide (CAS 28997-31-1), with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol. IUPAC: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]isoindole-1,3-dione.
Chemical Property Profile of N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide
Property Insights of N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide. Following Lipinski's Rule of Five, N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide 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
Frequently Asked Questions
What is the CAS number of N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide?
The CAS number of N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide is 28997-31-1.
What is the molecular formula of N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide?
The molecular formula of N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide is C14H12N4O4.
What is the molecular weight of N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide?
The molecular weight of N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide is 300.09 g/mol.
Where can I buy N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide?
You can request a quote for N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.