(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate
TL;DR: (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate (CAS 324064-53-1) is a chemical compound with molecular formula C21H14N6O4S and molecular weight 446.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate
Also Known As: (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate, (E)-5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl N'-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate, (Z)-2-[(E)-(4-NITROPHENYL)DIAZENYL]-1-PHENYL-2-{[5-(3-PYRIDINYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ETHENOL
| Molecular Formula | C21H14N6O4S |
|---|---|
| Molecular Weight | 446.08 g/mol |
| LogP | 4.4404 |
| Topological Polar Surface Area | 136.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.0797 |
| Heavy Atoms | 32 |
| Complexity | 1260.4714 |
Chemical Identifiers
| CAS Number | 324064-53-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)/C(=N\NC2=CC=C(C=C2)[N+](=O)[O-])/SC3=NN=C(O3)C4=CN=CC=C4 |
Product Overview
(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate (CAS 324064-53-1), with molecular formula C21H14N6O4S and molecular weight 446.08 g/mol. IUPAC: (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate.
Chemical Property Profile of (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate
Property Insights of (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate
The XLogP value of 4.4404 indicates that (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate. Following Lipinski's Rule of Five, (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate has 1 hydrogen bond donor(s) and 10 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 (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate?
The CAS number of (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate is 324064-53-1.
What is the molecular formula of (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate?
The molecular formula of (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate is C21H14N6O4S.
What is the molecular weight of (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate?
The molecular weight of (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate is 446.08 g/mol.
Where can I buy (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate?
You can request a quote for (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.