![1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone structure](/static/products/815/81555-96-6.png)
1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone
TL;DR: 1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone (CAS 81555-96-6) is a chemical compound with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one
Also Known As: 1-{[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone, AO-476/40910113, 1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one, 1-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-2-one
| Molecular Formula | C10H9N3O2S |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | 1.8127 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.04155 |
| Heavy Atoms | 16 |
| Complexity | 483.81918 |
Chemical Identifiers
| CAS Number | 81555-96-6 |
|---|---|
| SMILES | CC(=O)CSC1=NN=C(O1)C2=CC=NC=C2 |
Product Overview
1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone (CAS 81555-96-6), with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol. IUPAC: 1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one.
Chemical Property Profile of 1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone
Property Insights of 1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone
The XLogP value of 1.8127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone. The TPSA of 68.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone. Following Lipinski's Rule of Five, 1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone 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-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone?
The CAS number of 1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone is 81555-96-6.
What is the molecular formula of 1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone?
The molecular formula of 1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone is C10H9N3O2S.
What is the molecular weight of 1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone?
The molecular weight of 1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone is 235.04 g/mol.
Where can I buy 1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone?
You can request a quote for 1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-{[5-(4-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.