![4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate structure](/static/products/4614/461430-64-8.webp)
4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate
TL;DR: 4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate (CAS 461430-64-8) is a chemical compound with molecular formula C20H15ClN2O3S and molecular weight 398.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate
Also Known As: AP-853/41269901, 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate, 4-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-chlorobenzoate, 4-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 2-chlorobenzoate, 4-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-chlorobenzoate
| Molecular Formula | C20H15ClN2O3S |
|---|---|
| Molecular Weight | 398.05 g/mol |
| LogP | 4.65092 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.0492 |
| Heavy Atoms | 27 |
| Complexity | 990.2066 |
Chemical Identifiers
| CAS Number | 461430-64-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=CC=C3Cl |
Product Overview
4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate (CAS 461430-64-8), with molecular formula C20H15ClN2O3S and molecular weight 398.05 g/mol. IUPAC: 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate.
Chemical Property Profile of 4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate
Property Insights of 4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate
The XLogP value of 4.65092 indicates that 4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-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-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate. Following Lipinski's Rule of Five, 4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-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-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate?
The CAS number of 4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate is 461430-64-8.
What is the molecular formula of 4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate?
The molecular formula of 4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate is C20H15ClN2O3S.
What is the molecular weight of 4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate?
The molecular weight of 4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate is 398.05 g/mol.
Where can I buy 4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate?
You can request a quote for 4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-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-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.