2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole
TL;DR: 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole (CAS 332385-25-8) is a chemical compound with molecular formula C19H19N3O3S and molecular weight 369.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
Also Known As: BAS 01541821, 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole, 2-(4-tert-Butyl-benzylsulfanyl)-5-(4-nitro-phenyl)-[1,3,4]oxadiazole, 2-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
| Molecular Formula | C19H19N3O3S |
|---|---|
| Molecular Weight | 369.11 g/mol |
| LogP | 5.2346 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.11472 |
| Heavy Atoms | 26 |
| Complexity | 897.0288 |
Chemical Identifiers
| CAS Number | 332385-25-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole (CAS 332385-25-8), with molecular formula C19H19N3O3S and molecular weight 369.11 g/mol. IUPAC: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole.
Chemical Property Profile of 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole
Property Insights of 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole
The XLogP value of 5.2346 indicates that 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-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 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole. Following Lipinski's Rule of Five, 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole?
The CAS number of 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole is 332385-25-8.
What is the molecular formula of 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole?
The molecular formula of 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole is C19H19N3O3S.
What is the molecular weight of 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole?
The molecular weight of 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole is 369.11 g/mol.
Where can I buy 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole?
You can request a quote for 2-((4-(tert-Butyl)benzyl)thio)-5-(4-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 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(tert-Butyl)benzyl)thio)-5-(4-nitrophenyl)-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.