2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone
TL;DR: 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone (CAS 336180-27-9) is a chemical compound with molecular formula C16H11N3O5S and molecular weight 357.04193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-nitrophenyl)ethanone
Also Known As: BAS 01107523, 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone, 2-[5-(2-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-(4-nitro-phenyl)-ethanone, (6E)-6-[5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one, 6-[5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
Technical Specifications
| Molecular Formula | C16H11N3O5S |
| Molecular Weight | 357.04193 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.04193 Da |
| Heavy Atoms | 25 |
| Complexity | 481.0 |
| SMILES | C1=CC=C(C(=C1)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O |
| InChIKey | WMEGBGNPXCKWRG-UHFFFAOYSA-N |
Product Description
Applications: 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone is a fine chemical identified by CAS number 336180-27-9 and the molecular formula C16H11N3O5S and a molecular weight of 357.04 g/mol. Synonyms include BAS 01107523 and 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone
Property Insights of 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone
The XLogP value of 3.1 indicates that 2-((5-(2-Hydroxyphenyl)-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 147.0 Ų indicates high polarity, suggesting 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone?
The CAS number of 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone is 336180-27-9.
What is the molecular formula of 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone?
The molecular formula of 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone is C16H11N3O5S.
What is the molecular weight of 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone?
The molecular weight of 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone is 357.04193 g/mol.
What are the applications of 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone?
2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale),...
Where can I buy 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone?
You can request a quote for 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone?
Yes, CoreyChem provides custom synthesis services for 2-((5-(2-Hydroxyphenyl)-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.