![1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone structure](/static/products/4778/477852-91-8.webp)
1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone
TL;DR: 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone (CAS 477852-91-8) is a chemical compound with molecular formula C17H13N3O2S and molecular weight 323.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-(5-prop-2-ynylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one
Also Known As: 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone, 11E-304S, 1-benzyl-5-[5-(prop-2-yn-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]-1,2-dihydropyridin-2-one, 1-benzyl-5-(5-prop-2-ynylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one, 1-benzyl-5-[5-(prop-2-yn-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one
| Molecular Formula | C17H13N3O2S |
|---|---|
| Molecular Weight | 323.07 g/mol |
| LogP | 2.6719 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.07285 |
| Heavy Atoms | 23 |
| Complexity | 893.9471 |
Chemical Identifiers
| CAS Number | 477852-91-8 |
|---|---|
| SMILES | C#CCSC1=NN=C(O1)C2=CN(C(=O)C=C2)CC3=CC=CC=C3 |
Product Overview
1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone (CAS 477852-91-8), with molecular formula C17H13N3O2S and molecular weight 323.07 g/mol. IUPAC: 1-benzyl-5-(5-prop-2-ynylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one.
Chemical Property Profile of 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone
Property Insights of 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone
The XLogP value of 2.6719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone. Following Lipinski's Rule of Five, 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone 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-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone?
The CAS number of 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone is 477852-91-8.
What is the molecular formula of 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone?
The molecular formula of 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone is C17H13N3O2S.
What is the molecular weight of 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone?
The molecular weight of 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone is 323.07 g/mol.
Where can I buy 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone?
You can request a quote for 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5-[5-(2-propynylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1H)-pyridinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.