![4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate structure](/static/products/6697/669715-97-3.webp)
4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate
TL;DR: 4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate (CAS 669715-97-3) is a chemical compound with molecular formula C19H13ClN2O3S and molecular weight 384.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-chlorobenzoate
Also Known As: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate, AP-853/41543897, 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-chlorobenzoate, 4-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-chlorobenzoate, 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-yn-1-yl 4-chlorobenzoate
| Molecular Formula | C19H13ClN2O3S |
|---|---|
| Molecular Weight | 384.03 g/mol |
| LogP | 4.3425 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.03354 |
| Heavy Atoms | 26 |
| Complexity | 930.66815 |
Chemical Identifiers
| CAS Number | 669715-97-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)Cl |
Product Overview
4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate (CAS 669715-97-3), with molecular formula C19H13ClN2O3S and molecular weight 384.03 g/mol. IUPAC: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-chlorobenzoate.
Chemical Property Profile of 4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate
Property Insights of 4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate
The XLogP value of 4.3425 indicates that 4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate. Following Lipinski's Rule of Five, 4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate has 0 hydrogen bond donor(s) and 6 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-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate?
The CAS number of 4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate is 669715-97-3.
What is the molecular formula of 4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate?
The molecular formula of 4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate is C19H13ClN2O3S.
What is the molecular weight of 4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate?
The molecular weight of 4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate is 384.03 g/mol.
Where can I buy 4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate?
You can request a quote for 4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-butynyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.