5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole
TL;DR: 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole (CAS 75655-58-2) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-(3-nitrophenyl)-1,3,4-oxadiazole
Also Known As: 2-tert-butyl-5-(3-nitrophenyl)-1,3,4-oxadiazole, 2-(tert-butyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole, 5-tert-Butyl-2-[3-(nitrophenyl)-1,3,4-oxadiazole, 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole, 873-154-7
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 75655-58-2 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(O1)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | QPPURQMJPACJCL-UHFFFAOYSA-N |
Product Overview
5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole (CAS 75655-58-2), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 2-tert-butyl-5-(3-nitrophenyl)-1,3,4-oxadiazole.
Chemical Property Profile of 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole
Property Insights of 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole. Following Lipinski's Rule of Five, 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-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-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole?
The CAS number of 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole is 75655-58-2.
What is the molecular formula of 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole?
The molecular formula of 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole is C12H13N3O3.
What is the molecular weight of 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole?
The molecular weight of 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole is 247.10 g/mol.
Where can I buy 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole?
You can request a quote for 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.