![Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide structure](/static/products/3390/339015-72-4.webp)
Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide
TL;DR: Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide (CAS 339015-72-4) is a chemical compound with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylsulfanylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
Also Known As: 7L-583S, methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide, 5-[2-(methylsulfanyl)phenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole, 5-(2-methylsulfanylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
| Molecular Formula | C15H11N3O3S |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 4.0337 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.05212 |
| Heavy Atoms | 22 |
| Complexity | 814.9098 |
Chemical Identifiers
| CAS Number | 339015-72-4 |
|---|---|
| SMILES | CSC1=CC=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide (CAS 339015-72-4), with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol. IUPAC: 5-(2-methylsulfanylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole.
Chemical Property Profile of Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide
Property Insights of Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide
The XLogP value of 4.0337 indicates that Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide 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 Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide. Following Lipinski's Rule of Five, Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide 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 Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide?
The CAS number of Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide is 339015-72-4.
What is the molecular formula of Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide?
The molecular formula of Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide is C15H11N3O3S.
What is the molecular weight of Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide?
The molecular weight of Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide is 313.05 g/mol.
Where can I buy Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide?
You can request a quote for Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.