5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate
TL;DR: 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate (CAS 324064-56-4) is a chemical compound with molecular formula C22H14BrN5O4S and molecular weight 523.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl] (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate
Also Known As: 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate, (E)-5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl N'-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate, (Z)-2-{[5-(3-BROMOPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}-2-[(E)-(4-NITROPHENYL)DIAZENYL]-1-PHENYLETHENOL, [5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl] (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate
| Molecular Formula | C22H14BrN5O4S |
|---|---|
| Molecular Weight | 523.00 g/mol |
| LogP | 5.8079 |
| Topological Polar Surface Area | 123.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.995 |
| Heavy Atoms | 33 |
| Complexity | 1326.1427 |
Chemical Identifiers
| CAS Number | 324064-56-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)/C(=N\NC2=CC=C(C=C2)[N+](=O)[O-])/SC3=NN=C(O3)C4=CC(=CC=C4)Br |
Product Overview
5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate (CAS 324064-56-4), with molecular formula C22H14BrN5O4S and molecular weight 523.00 g/mol. IUPAC: [5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl] (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate.
Chemical Property Profile of 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate
Property Insights of 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate
The XLogP value of 5.8079 indicates that 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate. Following Lipinski's Rule of Five, 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate?
The CAS number of 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate is 324064-56-4.
What is the molecular formula of 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate?
The molecular formula of 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate is C22H14BrN5O4S.
What is the molecular weight of 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate?
The molecular weight of 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate is 523.00 g/mol.
Where can I buy 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate?
You can request a quote for 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.