![4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate structure](/static/products/4614/461431-73-2.webp)
4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate
TL;DR: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate (CAS 461431-73-2) is a chemical compound with molecular formula C19H12BrN3O5S and molecular weight 472.97 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 3-nitrobenzoate
Also Known As: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate, 4-((5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 3-nitrobenzoate, 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-nitrobenzoate
| Molecular Formula | C19H12BrN3O5S |
|---|---|
| Molecular Weight | 472.97 g/mol |
| LogP | 4.3598 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.9681 |
| Heavy Atoms | 29 |
| Complexity | 1088.9692 |
Chemical Identifiers
| CAS Number | 461431-73-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])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 3-nitrobenzoate (CAS 461431-73-2), with molecular formula C19H12BrN3O5S and molecular weight 472.97 g/mol. IUPAC: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate.
Chemical Property Profile of 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate
Property Insights of 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate
The XLogP value of 4.3598 indicates that 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-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-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate. Following Lipinski's Rule of Five, 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-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-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate?
The CAS number of 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate is 461431-73-2.
What is the molecular formula of 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate?
The molecular formula of 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate is C19H12BrN3O5S.
What is the molecular weight of 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate?
The molecular weight of 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate is 472.97 g/mol.
Where can I buy 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate?
You can request a quote for 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-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-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.