![2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one structure](/static/products/158/158093-65-3.webp)
2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
TL;DR: 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one (CAS 158093-65-3) is a chemical compound with molecular formula C12H7FN2OS and molecular weight 246.0263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-fluorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
Also Known As: PU139, 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one, 2-(4-fluorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one, PU-139;2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one, 2-(4-fluorophenyl)-2H,3H-[1,2]thiazolo[5,4-b]pyridin-3-one
Technical Specifications
| Molecular Formula | C12H7FN2OS |
| Molecular Weight | 246.0263 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 58.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.0263 Da |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
| SMILES | C1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)F |
| InChIKey | QMCIVCACYJRAAY-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
Property Insights of 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one. With a topological polar surface area (TPSA) of 58.5 Ų, 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one?
The CAS number of 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one is 158093-65-3.
What is the molecular formula of 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one?
The molecular formula of 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one is C12H7FN2OS.
What is the molecular weight of 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one?
The molecular weight of 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one is 246.0263 g/mol.
Where can I buy 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one?
You can request a quote for 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one?
Yes, CoreyChem provides custom synthesis services for 2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.