RefChem:237993
TL;DR: RefChem:237993 (CAS 79478-80-1) is a chemical compound with molecular formula C17H12Cl2FN3O4 and molecular weight 411.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)oxiran-2-yl]imidazole;nitric acid
Also Known As: 1-(3-(2-Chloro-6-fluorophenyl)-3-(4-chlorophenyl)oxiranyl)-1H-imidazole mononitrate, 1-(1,2-Epoxy-2-(2-chloro-6-fluorophenyl)-2-(4-chlorophenyl)ethyl)imidazole nitrate, 1H-Imidazole, 1-(3-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)oxiranyl)-, mononitrate, 1-[3-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)oxiran-2-yl]imidazole; nitric acid, Nitric acid--1-[3-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)oxiran-2-yl]-1H-imidazole (1/1)
| Molecular Formula | C17H12Cl2FN3O4 |
|---|---|
| Molecular Weight | 411.02 g/mol |
| LogP | 4.4539 |
| Topological Polar Surface Area | 93.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.0189 |
| Heavy Atoms | 27 |
| Complexity | 929.0722 |
Chemical Identifiers
| CAS Number | 79478-80-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C2(C(O2)N3C=CN=C3)C4=CC=C(C=C4)Cl)F.[N+](=O)(O)[O-] |
Product Overview
RefChem:237993 (CAS 79478-80-1), with molecular formula C17H12Cl2FN3O4 and molecular weight 411.02 g/mol. IUPAC: 1-[3-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)oxiran-2-yl]imidazole;nitric acid.
Chemical Property Profile of RefChem:237993
Property Insights of RefChem:237993
The XLogP value of 4.4539 indicates that RefChem:237993 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 RefChem:237993. Following Lipinski's Rule of Five, RefChem:237993 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 RefChem:237993?
The CAS number of RefChem:237993 is 79478-80-1.
What is the molecular formula of RefChem:237993?
The molecular formula of RefChem:237993 is C17H12Cl2FN3O4.
What is the molecular weight of RefChem:237993?
The molecular weight of RefChem:237993 is 411.02 g/mol.
Where can I buy RefChem:237993?
You can request a quote for RefChem:237993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237993?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.