2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole
TL;DR: 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole (CAS 16851-08-4) is a chemical compound with molecular formula C6H6IN3O3 and molecular weight 294.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole
Also Known As: NCIOpen2_006364, 2-iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole, 1-(2,3-Epoxypropyl)-2-iod-4-nitroimidazol, 2-iodo-4-nitro-1-(oxiran-2-ylmethyl)-1h-imidazole, 1H-Imidazole,2-iodo-4-nitro-1-(2-oxiranylmethyl)-
| Molecular Formula | C6H6IN3O3 |
|---|---|
| Molecular Weight | 294.95 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.9454 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 16851-08-4 |
|---|---|
| SMILES | C1C(O1)CN2C=C(N=C2I)[N+](=O)[O-] |
| InChIKey | XLQZRRHJSQFHQZ-UHFFFAOYSA-N |
Product Overview
2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole (CAS 16851-08-4), with molecular formula C6H6IN3O3 and molecular weight 294.95 g/mol. IUPAC: 2-iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole.
Chemical Property Profile of 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole
Property Insights of 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole. Following Lipinski's Rule of Five, 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole 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 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole?
The CAS number of 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole is 16851-08-4.
What is the molecular formula of 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole?
The molecular formula of 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole is C6H6IN3O3.
What is the molecular weight of 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole?
The molecular weight of 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole is 294.95 g/mol.
Where can I buy 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole?
You can request a quote for 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.