(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate
TL;DR: (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate (CAS 1203205-93-9) is a chemical compound with molecular formula C15H12N2O3S2 and molecular weight 332.02893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
Also Known As: (5-(thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate, F2496-2913, [5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate, (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C15H12N2O3S2 |
| Molecular Weight | 332.02893 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.02893 Da |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC2=NOC(=C2)C3=CC=CS3 |
| InChIKey | IKLDOZZCUKJGBF-UHFFFAOYSA-N |
Chemical Property Profile of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate
Property Insights of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate?
The CAS number of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate is 1203205-93-9.
What is the molecular formula of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate?
The molecular formula of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate is C15H12N2O3S2.
What is the molecular weight of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate?
The molecular weight of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate is 332.02893 g/mol.
Where can I buy (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate?
You can request a quote for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate?
Yes, CoreyChem provides custom synthesis services for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.