![4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate structure](/static/products/4614/461431-92-5.webp)
4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate
TL;DR: 4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate (CAS 461431-92-5) is a chemical compound with molecular formula C20H15BrN2O4S and molecular weight 457.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate
Also Known As: AP-853/41269929, 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate, 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 4-methoxybenzoate, 4-((5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-methoxybenzoate, 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-methoxybenzoate
| Molecular Formula | C20H15BrN2O4S |
|---|---|
| Molecular Weight | 457.99 g/mol |
| LogP | 4.4602 |
| Topological Polar Surface Area | 74.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.9936 |
| Heavy Atoms | 28 |
| Complexity | 991.54034 |
Chemical Identifiers
| CAS Number | 461431-92-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)Br |
Product Overview
4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate (CAS 461431-92-5), with molecular formula C20H15BrN2O4S and molecular weight 457.99 g/mol. IUPAC: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate.
Chemical Property Profile of 4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate
Property Insights of 4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate
The XLogP value of 4.4602 indicates that 4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate. Following Lipinski's Rule of Five, 4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate has 0 hydrogen bond donor(s) and 7 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-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate?
The CAS number of 4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate is 461431-92-5.
What is the molecular formula of 4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate?
The molecular formula of 4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate is C20H15BrN2O4S.
What is the molecular weight of 4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate?
The molecular weight of 4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate is 457.99 g/mol.
Where can I buy 4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate?
You can request a quote for 4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate 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-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.