![4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate structure](/static/products/7273/727385-67-3.webp)
4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate
TL;DR: 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate (CAS 727385-67-3) is a chemical compound with molecular formula C21H14N2O3S2 and molecular weight 406.04 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 thiophene-2-carboxylate
Also Known As: 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate, AP-853/41543948, 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl thiophene-2-carboxylate, 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl thiophene-2-carboxylate, 4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)but-2-ynylThiophene-2-carboxylate
| Molecular Formula | C21H14N2O3S2 |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.0446 |
| Heavy Atoms | 28 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 727385-67-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=CC=CS4 |
| InChIKey | KBXPMIOIACOIOC-UHFFFAOYSA-N |
Product Overview
4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate (CAS 727385-67-3), with molecular formula C21H14N2O3S2 and molecular weight 406.04 g/mol. IUPAC: 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl thiophene-2-carboxylate.
Chemical Property Profile of 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate
Property Insights of 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate
The XLogP value of 5.1 indicates that 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate. Following Lipinski's Rule of Five, 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate?
The CAS number of 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate is 727385-67-3.
What is the molecular formula of 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate?
The molecular formula of 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate is C21H14N2O3S2.
What is the molecular weight of 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate?
The molecular weight of 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate is 406.04 g/mol.
Where can I buy 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate?
You can request a quote for 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.