1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone
TL;DR: 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 166527-00-0) is a chemical compound with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
Also Known As: TimTec1_004346, 3-Hydroxy-7-desmethyl agomelatine, 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone, 1-Phenyl-2-(5-phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone, 1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
| Molecular Formula | C16H12N2O2S |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.06195 |
| Heavy Atoms | 21 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 166527-00-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)C3=CC=CC=C3 |
| InChIKey | WZRWOAOTPYJTJE-UHFFFAOYSA-N |
Product Overview
1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 166527-00-0), with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol. IUPAC: 1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone
Property Insights of 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone
The XLogP value of 3.7 indicates that 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone 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 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone?
The CAS number of 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone is 166527-00-0.
What is the molecular formula of 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular formula of 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone is C16H12N2O2S.
What is the molecular weight of 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular weight of 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone is 296.06 g/mol.
Where can I buy 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone?
You can request a quote for 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.