3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole
TL;DR: 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole (CAS 121562-11-6) is a chemical compound with molecular formula C8H4BrN3O3 and molecular weight 268.9436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole
Also Known As: 3-bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole
Technical Specifications
| Molecular Formula | C8H4BrN3O3 |
| Molecular Weight | 268.9436 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.9436 Da |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
| SMILES | C1=CC(=CC=C1C2=NC(=NO2)Br)[N+](=O)[O-] |
| InChIKey | USDILNOQVHQVSN-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole
Property Insights of 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3-Bromo-5-(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
What is the CAS number of 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole?
The CAS number of 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole is 121562-11-6.
What is the molecular formula of 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular formula of 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole is C8H4BrN3O3.
What is the molecular weight of 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular weight of 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole is 268.9436 g/mol.
Where can I buy 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole?
You can request a quote for 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.