1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one
TL;DR: 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one (CAS 81555-90-0) is a chemical compound with molecular formula C11H9BrN2O2S and molecular weight 311.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one
Also Known As: 1-((5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one, 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one, F0784-0359, 1-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-2-one
| Molecular Formula | C11H9BrN2O2S |
|---|---|
| Molecular Weight | 311.96 g/mol |
| LogP | 3.1802 |
| Topological Polar Surface Area | 55.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.95682 |
| Heavy Atoms | 17 |
| Complexity | 524.52264 |
Chemical Identifiers
| CAS Number | 81555-90-0 |
|---|---|
| SMILES | CC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)Br |
Product Overview
1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one (CAS 81555-90-0), with molecular formula C11H9BrN2O2S and molecular weight 311.96 g/mol. IUPAC: 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one.
Chemical Property Profile of 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one
Property Insights of 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one
The XLogP value of 3.1802 indicates that 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.99 Ų, 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one 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 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one?
The CAS number of 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one is 81555-90-0.
What is the molecular formula of 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one?
The molecular formula of 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one is C11H9BrN2O2S.
What is the molecular weight of 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one?
The molecular weight of 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one is 311.96 g/mol.
Where can I buy 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one?
You can request a quote for 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.