2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone
TL;DR: 2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone (CAS 302552-41-6) is a chemical compound with molecular formula C16H10BrN3O4S and molecular weight 418.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-nitrophenyl)ethanone
Also Known As: BB_SC-0942, 2-((5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone, 2-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one, F0486-2324, 2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-nitrophenyl)ethanone
| Molecular Formula | C16H10BrN3O4S |
|---|---|
| Molecular Weight | 418.96 g/mol |
| LogP | 4.3823 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.95755 |
| Heavy Atoms | 25 |
| Complexity | 927.1391 |
Chemical Identifiers
| CAS Number | 302552-41-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone (CAS 302552-41-6), with molecular formula C16H10BrN3O4S and molecular weight 418.96 g/mol. IUPAC: 2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of 2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone
Property Insights of 2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone
The XLogP value of 4.3823 indicates that 2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone 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 2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone?
The CAS number of 2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone is 302552-41-6.
What is the molecular formula of 2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone?
The molecular formula of 2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone is C16H10BrN3O4S.
What is the molecular weight of 2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone?
The molecular weight of 2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone is 418.96 g/mol.
Where can I buy 2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone?
You can request a quote for 2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)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-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.