![4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate structure](/static/products/6697/669715-63-3.webp)
4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate
TL;DR: 4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate (CAS 669715-63-3) is a chemical compound with molecular formula C18H12BrN3O3S and molecular weight 428.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 2-bromobenzoate
Also Known As: 4-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 2-bromobenzoate, 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 2-bromobenzoate, 4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate
| Molecular Formula | C18H12BrN3O3S |
|---|---|
| Molecular Weight | 428.98 g/mol |
| LogP | 3.8466 |
| Topological Polar Surface Area | 78.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.97827 |
| Heavy Atoms | 26 |
| Complexity | 950.8152 |
Chemical Identifiers
| CAS Number | 669715-63-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=NC=C3)Br |
Product Overview
4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate (CAS 669715-63-3), with molecular formula C18H12BrN3O3S and molecular weight 428.98 g/mol. IUPAC: 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 2-bromobenzoate.
Chemical Property Profile of 4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate
Property Insights of 4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate
The XLogP value of 3.8466 indicates that 4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate. Following Lipinski's Rule of Five, 4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate 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-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate?
The CAS number of 4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate is 669715-63-3.
What is the molecular formula of 4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate?
The molecular formula of 4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate is C18H12BrN3O3S.
What is the molecular weight of 4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate?
The molecular weight of 4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate is 428.98 g/mol.
Where can I buy 4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate?
You can request a quote for 4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.