![2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole structure](/static/products/5338/5338-68-1.webp)
2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole
TL;DR: 2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole (CAS 5338-68-1) is a chemical compound with molecular formula C18H15N3O5S2 and molecular weight 417.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole
Also Known As: 2-benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole, 2-Benzyl-5-{[3-(4-nitrobenzene-1-sulfonyl)prop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazole
| Molecular Formula | C18H15N3O5S2 |
|---|---|
| Molecular Weight | 417.05 g/mol |
| LogP | 3.6483 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.04532 |
| Heavy Atoms | 28 |
| Complexity | 1077.9236 |
Chemical Identifiers
| CAS Number | 5338-68-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C(O2)SCC=CS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole (CAS 5338-68-1), with molecular formula C18H15N3O5S2 and molecular weight 417.05 g/mol. IUPAC: 2-benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole.
Chemical Property Profile of 2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole
Property Insights of 2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole
The XLogP value of 3.6483 indicates that 2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole. Following Lipinski's Rule of Five, 2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole 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 2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole?
The CAS number of 2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole is 5338-68-1.
What is the molecular formula of 2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole?
The molecular formula of 2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole is C18H15N3O5S2.
What is the molecular weight of 2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole?
The molecular weight of 2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole is 417.05 g/mol.
Where can I buy 2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole?
You can request a quote for 2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-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-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.