1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate
TL;DR: 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate (CAS 79478-65-2) is a chemical compound with molecular formula C18H13ClF3N3O4 and molecular weight 427.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]oxiran-2-yl]imidazole;nitric acid
Also Known As: 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate, 1H-Imidazole, 1-(3-(2-chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-, mononitrate, 1-[3-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]oxiran-2-yl]imidazole; nitric acid, Nitric acid--1-{3-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]oxiran-2-yl}-1H-imidazole (1/1), RefChem:237998
| Molecular Formula | C18H13ClF3N3O4 |
|---|---|
| Molecular Weight | 427.05 g/mol |
| LogP | 4.6802 |
| Topological Polar Surface Area | 93.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.05466 |
| Heavy Atoms | 29 |
| Complexity | 1009.5909 |
Chemical Identifiers
| CAS Number | 79478-65-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2(C(O2)N3C=CN=C3)C4=CC(=CC=C4)C(F)(F)F)Cl.[N+](=O)(O)[O-] |
Product Overview
1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate (CAS 79478-65-2), with molecular formula C18H13ClF3N3O4 and molecular weight 427.05 g/mol. IUPAC: 1-[3-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]oxiran-2-yl]imidazole;nitric acid.
Chemical Property Profile of 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate
Property Insights of 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate
The XLogP value of 4.6802 indicates that 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate. Following Lipinski's Rule of Five, 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate has 1 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-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate?
The CAS number of 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate is 79478-65-2.
What is the molecular formula of 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate?
The molecular formula of 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate is C18H13ClF3N3O4.
What is the molecular weight of 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate?
The molecular weight of 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate is 427.05 g/mol.
Where can I buy 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate?
You can request a quote for 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(2-Chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1H-imidazole mononitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.