![2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide structure](/static/products/116/116082-56-5.webp)
2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
TL;DR: 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide (CAS 116082-56-5) is a chemical compound with molecular formula C12H9NO3S and molecular weight 247.03032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)ethanone
Also Known As: 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
Technical Specifications
| Molecular Formula | C12H9NO3S |
| Molecular Weight | 247.03032 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.03032 Da |
| Heavy Atoms | 17 |
| Complexity | 439.0 |
| SMILES | CC(=O)N1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O |
| InChIKey | BETCANIICZJBGS-UHFFFAOYSA-N |
Chemical Property Profile of 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
Property Insights of 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide. Following Lipinski's Rule of Five, 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide 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-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide?
The CAS number of 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide is 116082-56-5.
What is the molecular formula of 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide?
The molecular formula of 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide is C12H9NO3S.
What is the molecular weight of 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide?
The molecular weight of 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide is 247.03032 g/mol.
Where can I buy 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide?
You can request a quote for 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide?
Yes, CoreyChem provides custom synthesis services for 2-acetyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.