![4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate structure](/static/products/669/669715-91-7.png)
4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate
TL;DR: 4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate (CAS 669715-91-7) is a chemical compound with molecular formula C19H13N3O5S and molecular weight 395.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl benzoate
Also Known As: 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate, 4-((5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl benzoate, 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl benzoate
| Molecular Formula | C19H13N3O5S |
|---|---|
| Molecular Weight | 395.06 g/mol |
| LogP | 3.5973 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.0576 |
| Heavy Atoms | 28 |
| Complexity | 1022.9727 |
Chemical Identifiers
| CAS Number | 669715-91-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate (CAS 669715-91-7), with molecular formula C19H13N3O5S and molecular weight 395.06 g/mol. IUPAC: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl benzoate.
Chemical Property Profile of 4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate
Property Insights of 4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate
The XLogP value of 3.5973 indicates that 4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate. Following Lipinski's Rule of Five, 4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate 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-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate?
The CAS number of 4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate is 669715-91-7.
What is the molecular formula of 4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate?
The molecular formula of 4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate is C19H13N3O5S.
What is the molecular weight of 4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate?
The molecular weight of 4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate is 395.06 g/mol.
Where can I buy 4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate?
You can request a quote for 4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.