5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
TL;DR: 5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole (CAS 25283-96-9) is a chemical compound with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
Also Known As: 5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole, 1,2,4-Oxadiazole, 5-methyl-3-(4-nitrophenyl)-, BAS 00413465, 5-Methyl-3-(4-nitro-phenyl)-[1,2,4]oxadiazole, K-6654
| Molecular Formula | C9H7N3O3 |
|---|---|
| Molecular Weight | 205.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.04874 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 25283-96-9 |
|---|---|
| SMILES | CC1=NC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | RSKNJQADPMXGLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole (CAS 25283-96-9), with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol. IUPAC: 5-methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
Property Insights of 5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 5-Methyl-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-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The CAS number of 5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole is 25283-96-9.
What is the molecular formula of 5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular formula of 5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole is C9H7N3O3.
What is the molecular weight of 5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular weight of 5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole is 205.05 g/mol.
Where can I buy 5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole?
You can request a quote for 5-Methyl-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-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.