![4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate structure](/static/products/6697/669716-16-9.webp)
4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate
TL;DR: 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate (CAS 669716-16-9) is a chemical compound with molecular formula C20H13N3O4S and molecular weight 391.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 1-benzofuran-2-carboxylate
Also Known As: 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate, 4-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl benzofuran-2-carboxylate, 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 1-benzofuran-2-carboxylate
| Molecular Formula | C20H13N3O4S |
|---|---|
| Molecular Weight | 391.06 g/mol |
| LogP | 3.8303 |
| Topological Polar Surface Area | 91.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.06268 |
| Heavy Atoms | 28 |
| Complexity | 1125.134 |
Chemical Identifiers
| CAS Number | 669716-16-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)OCC#CCSC3=NN=C(O3)C4=CC=NC=C4 |
Product Overview
4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate (CAS 669716-16-9), with molecular formula C20H13N3O4S and molecular weight 391.06 g/mol. IUPAC: 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 1-benzofuran-2-carboxylate.
Chemical Property Profile of 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate
Property Insights of 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate
The XLogP value of 3.8303 indicates that 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate. Following Lipinski's Rule of Five, 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate has 0 hydrogen bond donor(s) and 8 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 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate?
The CAS number of 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate is 669716-16-9.
What is the molecular formula of 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate?
The molecular formula of 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate is C20H13N3O4S.
What is the molecular weight of 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate?
The molecular weight of 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate is 391.06 g/mol.
Where can I buy 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate?
You can request a quote for 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.