(5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate
TL;DR: (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate (CAS 853583-49-0) is a chemical compound with molecular formula C16H12N4O5S and molecular weight 372.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0008179, (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate, [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate, [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C16H12N4O5S |
|---|---|
| Molecular Weight | 372.05 g/mol |
| LogP | 3.1187 |
| Topological Polar Surface Area | 121.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.05283 |
| Heavy Atoms | 26 |
| Complexity | 941.823 |
Chemical Identifiers
| CAS Number | 853583-49-0 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate (CAS 853583-49-0), with molecular formula C16H12N4O5S and molecular weight 372.05 g/mol. IUPAC: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate
Property Insights of (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate
The XLogP value of 3.1187 indicates that (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate has 0 hydrogen bond donor(s) and 9 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 (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate?
The CAS number of (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate is 853583-49-0.
What is the molecular formula of (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate?
The molecular formula of (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate is C16H12N4O5S.
What is the molecular weight of (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate?
The molecular weight of (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate is 372.05 g/mol.
Where can I buy (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate?
You can request a quote for (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for (5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.