3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
TL;DR: 3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole (CAS 425374-47-6) is a chemical compound with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
Also Known As: Octadecanoic acid,1-methylethenyl ester, KST-1B6290, 3- -5-phenethyl-1,2,4-oxadiazole, 3-(3-nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole, BIM-0001511.P001
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 425374-47-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | YVPDFWGUWBVCBF-UHFFFAOYSA-N |
Product Overview
3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole (CAS 425374-47-6), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: 3-(3-nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole.
Chemical Property Profile of 3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
Property Insights of 3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
The XLogP value of 3.9 indicates that 3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3-(3-Nitrophenyl)-5-(2-phenylethyl)-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 3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
The CAS number of 3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole is 425374-47-6.
What is the molecular formula of 3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
The molecular formula of 3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole is C16H13N3O3.
What is the molecular weight of 3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
The molecular weight of 3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole is 295.10 g/mol.
Where can I buy 3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
You can request a quote for 3-(3-Nitrophenyl)-5-(2-phenylethyl)-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 3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.