4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate
TL;DR: 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate (CAS 714934-06-2) is a chemical compound with molecular formula C23H15N3O5S and molecular weight 445.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-nitrobenzoate
Also Known As: 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate, 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-nitrobenzoate, 4-{[5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-nitrobenzoate
| Molecular Formula | C23H15N3O5S |
|---|---|
| Molecular Weight | 445.07 g/mol |
| LogP | 4.7505 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.07324 |
| Heavy Atoms | 32 |
| Complexity | 1333.7583 |
Chemical Identifiers
| CAS Number | 714934-06-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate (CAS 714934-06-2), with molecular formula C23H15N3O5S and molecular weight 445.07 g/mol. IUPAC: 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-nitrobenzoate.
Chemical Property Profile of 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate
Property Insights of 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate
The XLogP value of 4.7505 indicates that 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate 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-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate 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-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate?
The CAS number of 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate is 714934-06-2.
What is the molecular formula of 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate?
The molecular formula of 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate is C23H15N3O5S.
What is the molecular weight of 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate?
The molecular weight of 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate is 445.07 g/mol.
Where can I buy 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate?
You can request a quote for 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.