2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide
TL;DR: 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide (CAS 220597-89-7) is a chemical compound with molecular formula C17H14BrN3O2S and molecular weight 403.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide
Also Known As: BAS 01094828, 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide, 2-(5-Benzyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-(4-bromo-phenyl)-acetamide, 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide, N-(4-bromophenyl)-2-[5-benzyl(1,3,4-oxadiazol-2-ylthio)]acetamide
| Molecular Formula | C17H14BrN3O2S |
|---|---|
| Molecular Weight | 403.00 g/mol |
| LogP | 4.1537 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.99902 |
| Heavy Atoms | 24 |
| Complexity | 806.21765 |
Chemical Identifiers
| CAS Number | 220597-89-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)Br |
Product Overview
2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide (CAS 220597-89-7), with molecular formula C17H14BrN3O2S and molecular weight 403.00 g/mol. IUPAC: 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide.
Chemical Property Profile of 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide
Property Insights of 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide
The XLogP value of 4.1537 indicates that 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide. Following Lipinski's Rule of Five, 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide has 1 hydrogen bond donor(s) and 5 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 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide?
The CAS number of 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide is 220597-89-7.
What is the molecular formula of 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide?
The molecular formula of 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide is C17H14BrN3O2S.
What is the molecular weight of 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide?
The molecular weight of 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide is 403.00 g/mol.
Where can I buy 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide?
You can request a quote for 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-bromophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.