1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole
TL;DR: 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole (CAS 5458-02-6) is a chemical compound with molecular formula C11H10IN3O3 and molecular weight 358.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2-iodophenoxy)ethyl]-2-nitroimidazole
Also Known As: IPENI, 1-(2- -2-nitroimidazole, 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole, 1-[2-(2-iodophenoxy)ethyl]-2-nitroimidazole, 1-[2-(2-iodophenoxy)-ethyl]-2-nitroimidazole
| Molecular Formula | C11H10IN3O3 |
|---|---|
| Molecular Weight | 358.98 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.97668 |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 5458-02-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OCCN2C=CN=C2[N+](=O)[O-])I |
| InChIKey | ZWZZOWNBKMKCPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole (CAS 5458-02-6), with molecular formula C11H10IN3O3 and molecular weight 358.98 g/mol. IUPAC: 1-[2-(2-iodophenoxy)ethyl]-2-nitroimidazole.
Chemical Property Profile of 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole
Property Insights of 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole. Following Lipinski's Rule of Five, 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole has 0 hydrogen bond donor(s) and 4 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 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole?
The CAS number of 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole is 5458-02-6.
What is the molecular formula of 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole?
The molecular formula of 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole is C11H10IN3O3.
What is the molecular weight of 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole?
The molecular weight of 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole is 358.98 g/mol.
Where can I buy 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole?
You can request a quote for 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(2-Iodophenoxy)ethyl)-2-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.