2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid
TL;DR: 2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid (CAS 126684-64-8) is a chemical compound with molecular formula C11H11NO3S and molecular weight 237.04596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid
Also Known As: 2-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid, 1,2-Benzisothiazole-2(3H)-acetic acid, -alpha--ethyl-3-oxo-, Butyric acid, 2-(3-oxo-3H-benzo[d]isothiazol-2-yl)-, 2-(3-Oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid, 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)butanoic acid
Technical Specifications
| Molecular Formula | C11H11NO3S |
| Molecular Weight | 237.04596 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.04596 Da |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
| SMILES | CCC(C(=O)O)N1C(=O)C2=CC=CC=C2S1 |
| InChIKey | UIFVNRXDJBVKGJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid
Property Insights of 2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid. Following Lipinski's Rule of Five, 2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid has 1 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-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid?
The CAS number of 2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid is 126684-64-8.
What is the molecular formula of 2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid?
The molecular formula of 2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid is C11H11NO3S.
What is the molecular weight of 2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid?
The molecular weight of 2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid is 237.04596 g/mol.
Where can I buy 2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid?
You can request a quote for 2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(3-Oxo-1,2-benzothiazol-2-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.