2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone
TL;DR: 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone (CAS 485334-76-7) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
Also Known As: 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone, 1-(4-methylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone, F1252-1295, 1-(4-methylphenyl)-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one, 1-(4-methylphenyl)-2-(5-(4-pyridyl)(1,3,4-oxadiazol-2-ylthio))ethan-1-one
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 3.41502 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 769.59973 |
Chemical Identifiers
| CAS Number | 485334-76-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C3=CC=NC=C3 |
Product Overview
2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone (CAS 485334-76-7), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: 1-(4-methylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone
Property Insights of 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone
The XLogP value of 3.41502 indicates that 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone. Following Lipinski's Rule of Five, 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone has 0 hydrogen bond donor(s) and 6 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 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone?
The CAS number of 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone is 485334-76-7.
What is the molecular formula of 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone?
The molecular formula of 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone is C16H13N3O2S.
What is the molecular weight of 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone?
The molecular weight of 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone is 311.07 g/mol.
Where can I buy 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone?
You can request a quote for 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(p-tolyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.