![5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole structure](/static/products/218/218157-41-6.png)
5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
TL;DR: 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole (CAS 218157-41-6) is a chemical compound with molecular formula C17H14ClN3O4 and molecular weight 359.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
Also Known As: 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole, 2-chloro-1,3-dimethyl-5-{[3-(3-nitrophenyl)(1,2,4-oxadiazol-5-yl)]methoxy}benz ene, 5-((4-chloro-3,5-dimethylphenoxy)methyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
| Molecular Formula | C17H14ClN3O4 |
|---|---|
| Molecular Weight | 359.07 g/mol |
| LogP | 4.49404 |
| Topological Polar Surface Area | 91.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.0673 |
| Heavy Atoms | 25 |
| Complexity | 916.14246 |
Chemical Identifiers
| CAS Number | 218157-41-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole (CAS 218157-41-6), with molecular formula C17H14ClN3O4 and molecular weight 359.07 g/mol. IUPAC: 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
Property Insights of 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
The XLogP value of 4.49404 indicates that 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 6 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 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole?
The CAS number of 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole is 218157-41-6.
What is the molecular formula of 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole?
The molecular formula of 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole is C17H14ClN3O4.
What is the molecular weight of 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole?
The molecular weight of 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole is 359.07 g/mol.
Where can I buy 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole?
You can request a quote for 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.