![2-Hexylisothiazolo[5,4-b]pyridin-3-one structure](/static/products/154/154344-44-2.webp)
2-Hexylisothiazolo[5,4-b]pyridin-3-one
TL;DR: 2-Hexylisothiazolo[5,4-b]pyridin-3-one (CAS 154344-44-2) is a chemical compound with molecular formula C12H16N2OS and molecular weight 236.09833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hexyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Also Known As: 2-hexylisothiazolo[5,4-b]pyridin-3-one, N-Hexylisothiazolo[5,4-b]pyridine-3(2H)-one, Isothiazolo[5,4-b]pyridin-3(2H)-one, 2-hexyl-, J1.273.119A, 2-hexyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Technical Specifications
| Molecular Formula | C12H16N2OS |
| Molecular Weight | 236.09833 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 58.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.09833 Da |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
| SMILES | CCCCCCN1C(=O)C2=C(S1)N=CC=C2 |
| InChIKey | KMMATJGETOAJKC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hexylisothiazolo[5,4-b]pyridin-3-one
Property Insights of 2-Hexylisothiazolo[5,4-b]pyridin-3-one
The XLogP value of 3.1 indicates that 2-Hexylisothiazolo[5,4-b]pyridin-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.5 Ų, 2-Hexylisothiazolo[5,4-b]pyridin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexylisothiazolo[5,4-b]pyridin-3-one has 0 hydrogen bond donor(s) and 3 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-Hexylisothiazolo[5,4-b]pyridin-3-one?
The CAS number of 2-Hexylisothiazolo[5,4-b]pyridin-3-one is 154344-44-2.
What is the molecular formula of 2-Hexylisothiazolo[5,4-b]pyridin-3-one?
The molecular formula of 2-Hexylisothiazolo[5,4-b]pyridin-3-one is C12H16N2OS.
What is the molecular weight of 2-Hexylisothiazolo[5,4-b]pyridin-3-one?
The molecular weight of 2-Hexylisothiazolo[5,4-b]pyridin-3-one is 236.09833 g/mol.
Where can I buy 2-Hexylisothiazolo[5,4-b]pyridin-3-one?
You can request a quote for 2-Hexylisothiazolo[5,4-b]pyridin-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hexylisothiazolo[5,4-b]pyridin-3-one?
Yes, CoreyChem provides custom synthesis services for 2-Hexylisothiazolo[5,4-b]pyridin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.