5-(1-Adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
TL;DR: 5-(1-Adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole (CAS 54608-95-6) is a chemical compound with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
Also Known As: AB00110592-01, 5-(1-adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole, 3-(4-nitrophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,2,4-oxadiazole, 5-(ADAMANTAN-1-YL)-3-(4-NITROPHENYL)-1,2,4-OXADIAZOLE
| Molecular Formula | C18H19N3O3 |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 4.1126 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.14264 |
| Heavy Atoms | 24 |
| Complexity | 760.81104 |
Chemical Identifiers
| CAS Number | 54608-95-6 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=NC(=NO4)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
5-(1-Adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole (CAS 54608-95-6), with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol. IUPAC: 5-(1-adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-(1-Adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
Property Insights of 5-(1-Adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
The XLogP value of 4.1126 indicates that 5-(1-Adamantyl)-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-(1-Adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 5-(1-Adamantyl)-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-(1-Adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The CAS number of 5-(1-Adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole is 54608-95-6.
What is the molecular formula of 5-(1-Adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular formula of 5-(1-Adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole is C18H19N3O3.
What is the molecular weight of 5-(1-Adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular weight of 5-(1-Adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole is 325.14 g/mol.
Where can I buy 5-(1-Adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole?
You can request a quote for 5-(1-Adamantyl)-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-(1-Adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Adamantyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.