1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone
TL;DR: 1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 441289-32-3) is a chemical compound with molecular formula C15H10N4O4S and molecular weight 342.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
Also Known As: BAS 01935210, 1-(4-nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone, AB00137129-02, F0914-2751, 1-(4-nitrophenyl)-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
| Molecular Formula | C15H10N4O4S |
|---|---|
| Molecular Weight | 342.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.04227 |
| Heavy Atoms | 24 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 441289-32-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CSC2=NN=C(O2)C3=CC=NC=C3)[N+](=O)[O-] |
| InChIKey | QOVIUGDERBGOSV-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 441289-32-3), with molecular formula C15H10N4O4S and molecular weight 342.04 g/mol. IUPAC: 1-(4-nitrophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone
Property Insights of 1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone. The TPSA of 140.0 Ų indicates high polarity, suggesting 1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone has 0 hydrogen bond donor(s) and 8 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-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The CAS number of 1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone is 441289-32-3.
What is the molecular formula of 1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular formula of 1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone is C15H10N4O4S.
What is the molecular weight of 1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular weight of 1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone is 342.04 g/mol.
Where can I buy 1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
You can request a quote for 1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.