![2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole structure](/static/products/5519/551920-95-7.webp)
2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
TL;DR: 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole (CAS 551920-95-7) is a chemical compound with molecular formula C17H13N3O3S and molecular weight 339.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
Also Known As: 2-[(3-nitrobenzyl)sulfanyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole, 2-[(3-nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
| Molecular Formula | C17H13N3O3S |
|---|---|
| Molecular Weight | 339.07 g/mol |
| LogP | 4.4405 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.06775 |
| Heavy Atoms | 24 |
| Complexity | 862.28204 |
Chemical Identifiers
| CAS Number | 551920-95-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC2=NN=C(O2)SCC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole (CAS 551920-95-7), with molecular formula C17H13N3O3S and molecular weight 339.07 g/mol. IUPAC: 2-[(3-nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole.
Chemical Property Profile of 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
Property Insights of 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
The XLogP value of 4.4405 indicates that 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole. Following Lipinski's Rule of Five, 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole has 0 hydrogen bond donor(s) and 6 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 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The CAS number of 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole is 551920-95-7.
What is the molecular formula of 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The molecular formula of 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole is C17H13N3O3S.
What is the molecular weight of 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The molecular weight of 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole is 339.07 g/mol.
Where can I buy 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole?
You can request a quote for 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Nitrophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.