3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole
TL;DR: 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole (CAS 54608-83-2) is a chemical compound with molecular formula C14H8N4O5 and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(4-nitrophenyl)-1,2,4-oxadiazole
Also Known As: 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole, bis(4-nitrophenyl)-1,2,4-oxadiazole, 1,2,4-Oxadiazole, 3,5-di(4-nitrophenyl)-, J2.537.867I, 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole #
| Molecular Formula | C14H8N4O5 |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.04947 |
| Heavy Atoms | 23 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 54608-83-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NOC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AHDWTFBJCPOBGU-UHFFFAOYSA-N |
Product Overview
3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole (CAS 54608-83-2), with molecular formula C14H8N4O5 and molecular weight 312.05 g/mol. IUPAC: 3,5-bis(4-nitrophenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole
Property Insights of 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole
The XLogP value of 3.3 indicates that 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 7 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 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole?
The CAS number of 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole is 54608-83-2.
What is the molecular formula of 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular formula of 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole is C14H8N4O5.
What is the molecular weight of 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular weight of 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole is 312.05 g/mol.
Where can I buy 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole?
You can request a quote for 3,5-Bis(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 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(4-nitrophenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.