1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one
TL;DR: 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one (CAS 606117-18-4) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one
Also Known As: 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one, 1-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one, 2-PROPANONE, 1-[[5-(2-PYRIDINYLMETHYL)-1,3,4-OXADIAZOL-2-YL]THIO]-, 2-Propanone, 1-[[5-(2-pyridinylmethyl)-1,3,4-oxadiazol-2-yl]thio]- (9CI)
| Molecular Formula | C11H11N3O2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 1.7365 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.0572 |
| Heavy Atoms | 17 |
| Complexity | 498.42746 |
Chemical Identifiers
| CAS Number | 606117-18-4 |
|---|---|
| SMILES | CC(=O)CSC1=NN=C(O1)CC2=CC=CC=N2 |
Product Overview
1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one (CAS 606117-18-4), with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol. IUPAC: 1-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one.
Chemical Property Profile of 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one
Property Insights of 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one
The XLogP value of 1.7365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one. The TPSA of 68.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one. Following Lipinski's Rule of Five, 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one 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 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one?
The CAS number of 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one is 606117-18-4.
What is the molecular formula of 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one?
The molecular formula of 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one is C11H11N3O2S.
What is the molecular weight of 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one?
The molecular weight of 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one is 249.06 g/mol.
Where can I buy 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one?
You can request a quote for 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.