5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol (CAS 31402-78-5) is a chemical compound with molecular formula C17H11N3OS and molecular weight 305.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(2-phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol, AN-664/14507239, 5-(2-phenylquinolin-4-yl)-1,3,4-oxadiazole-2-thione, 5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione, 5-(2-phenyl-4-quinolinyl)-1,3,4-oxadiazol-2-yl hydrosulfide
| Molecular Formula | C17H11N3OS |
|---|---|
| Molecular Weight | 305.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.0623 |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 31402-78-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)O4 |
| InChIKey | XXZGUFRYZYAGSW-UHFFFAOYSA-N |
Product Overview
5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol (CAS 31402-78-5), with molecular formula C17H11N3OS and molecular weight 305.06 g/mol. IUPAC: 5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 4.0 indicates that 5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol has 1 hydrogen bond donor(s) and 4 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-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol is 31402-78-5.
What is the molecular formula of 5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol is C17H11N3OS.
What is the molecular weight of 5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol is 305.06 g/mol.
Where can I buy 5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Phenyl-4-quinolyl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.