![1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone structure](/static/products/3097/309734-81-4.webp)
1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone
TL;DR: 1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone (CAS 309734-81-4) 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-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one
Also Known As: 1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one, 1-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone, 1-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-2-one, A2252/0094839, 1-([5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl)acetone #
| Molecular Formula | C11H9BrN2O2S |
|---|---|
| Molecular Weight | 311.96 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.95682 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 309734-81-4 |
|---|---|
| SMILES | CC(=O)CSC1=NN=C(O1)C2=CC(=CC=C2)Br |
| InChIKey | MGEJDKRUCUXZAS-UHFFFAOYSA-N |
Product Overview
1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone (CAS 309734-81-4), with molecular formula C11H9BrN2O2S and molecular weight 311.96 g/mol. IUPAC: 1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one.
Chemical Property Profile of 1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone
Property Insights of 1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone. Following Lipinski's Rule of Five, 1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone 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-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone?
The CAS number of 1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone is 309734-81-4.
What is the molecular formula of 1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone?
The molecular formula of 1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone is C11H9BrN2O2S.
What is the molecular weight of 1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone?
The molecular weight of 1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone is 311.96 g/mol.
Where can I buy 1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone?
You can request a quote for 1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-ylthio]acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.