2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone
TL;DR: 2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone (CAS 326004-27-7) is a chemical compound with molecular formula C17H13BrN2O2S and molecular weight 387.99 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]-1-(4-bromophenyl)ethanone
Also Known As: 2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone, 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one, 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-bromophenyl)ethanone, (Z)-1-(4-bromophenyl)-2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]ethenol;hydrobromide, (Z)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-bromophenyl)ethenol;hydrobromide
| Molecular Formula | C17H13BrN2O2S |
|---|---|
| Molecular Weight | 387.99 g/mol |
| LogP | 4.3979 |
| Topological Polar Surface Area | 55.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.9881 |
| Heavy Atoms | 23 |
| Complexity | 787.86774 |
Chemical Identifiers
| CAS Number | 326004-27-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Br |
Product Overview
2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone (CAS 326004-27-7), with molecular formula C17H13BrN2O2S and molecular weight 387.99 g/mol. IUPAC: 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-bromophenyl)ethanone.
Chemical Property Profile of 2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone
Property Insights of 2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone
The XLogP value of 4.3979 indicates that 2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.99 Ų, 2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone has 0 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)-1-(4-bromophenyl)ethanone?
The CAS number of 2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone is 326004-27-7.
What is the molecular formula of 2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone?
The molecular formula of 2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone is C17H13BrN2O2S.
What is the molecular weight of 2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone?
The molecular weight of 2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone is 387.99 g/mol.
Where can I buy 2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone?
You can request a quote for 2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone 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)-1-(4-bromophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(4-bromophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.