5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
TL;DR: 5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole (CAS 431908-57-5) is a chemical compound with molecular formula C15H11N3O3 and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
Also Known As: 5-benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole, 5-Benzyl-3- -1,2,4-oxadiazole, 5-pyrimidinecarboxylic acid,4,6-dimethoxy, B-3415, I14-25127
| Molecular Formula | C15H11N3O3 |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 3.2356 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.08005 |
| Heavy Atoms | 21 |
| Complexity | 751.34973 |
Chemical Identifiers
| CAS Number | 431908-57-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole (CAS 431908-57-5), with molecular formula C15H11N3O3 and molecular weight 281.08 g/mol. IUPAC: 5-benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
Property Insights of 5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
The XLogP value of 3.2356 indicates that 5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 5 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-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The CAS number of 5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole is 431908-57-5.
What is the molecular formula of 5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular formula of 5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole is C15H11N3O3.
What is the molecular weight of 5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular weight of 5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole is 281.08 g/mol.
Where can I buy 5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole?
You can request a quote for 5-Benzyl-3-(4-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-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.