1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
TL;DR: 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 332159-51-0) is a chemical compound with molecular formula C17H13N3O4S and molecular weight 355.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-nitrophenyl)ethanone
Also Known As: BAS 01248598, 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone, 1-(4-Nitro-phenyl)-2-(5-m-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone, 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-nitrophenyl)ethanone
| Molecular Formula | C17H13N3O4S |
|---|---|
| Molecular Weight | 355.06 g/mol |
| LogP | 3.92822 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.06268 |
| Heavy Atoms | 25 |
| Complexity | 921.6522 |
Chemical Identifiers
| CAS Number | 332159-51-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 332159-51-0), with molecular formula C17H13N3O4S and molecular weight 355.06 g/mol. IUPAC: 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
Property Insights of 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
The XLogP value of 3.92822 indicates that 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)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 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)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 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The CAS number of 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone is 332159-51-0.
What is the molecular formula of 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular formula of 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone is C17H13N3O4S.
What is the molecular weight of 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular weight of 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone is 355.06 g/mol.
Where can I buy 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
You can request a quote for 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-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-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.