5-(3,4-Dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
TL;DR: 5-(3,4-Dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole (CAS 690986-78-8) 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.
5-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
Also Known As: 5-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole, Cambridge id 7340554
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 3.92864 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 838.0973 |
Chemical Identifiers
| CAS Number | 690986-78-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C |
Product Overview
5-(3,4-Dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole (CAS 690986-78-8), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: 5-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-(3,4-Dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
Property Insights of 5-(3,4-Dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
The XLogP value of 3.92864 indicates that 5-(3,4-Dimethylphenyl)-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-(3,4-Dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 5-(3,4-Dimethylphenyl)-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-(3,4-Dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The CAS number of 5-(3,4-Dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole is 690986-78-8.
What is the molecular formula of 5-(3,4-Dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular formula of 5-(3,4-Dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole is C16H13N3O3.
What is the molecular weight of 5-(3,4-Dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular weight of 5-(3,4-Dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole is 295.10 g/mol.
Where can I buy 5-(3,4-Dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole?
You can request a quote for 5-(3,4-Dimethylphenyl)-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-(3,4-Dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-Dimethylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.