![2-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide structure](/static/products/136/136061-98-8.webp)
2-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
TL;DR: 2-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide (CAS 136061-98-8) is a chemical compound with molecular formula C17H13NO2S and molecular weight 295.0667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
Also Known As: 2-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide, AI-204/31723037, 3-benzyl-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
Technical Specifications
| Molecular Formula | C17H13NO2S |
| Molecular Weight | 295.0667 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.0667 Da |
| Heavy Atoms | 21 |
| Complexity | 478.0 |
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O |
| InChIKey | NRXYSTCCNSQAPY-UHFFFAOYSA-N |
Chemical Property Profile of 2-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
Property Insights of 2-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
The XLogP value of 3.5 indicates that 2-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-benzyl-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-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide?
The CAS number of 2-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide is 136061-98-8.
What is the molecular formula of 2-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide?
The molecular formula of 2-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide is C17H13NO2S.
What is the molecular weight of 2-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide?
The molecular weight of 2-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide is 295.0667 g/mol.
Where can I buy 2-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide?
You can request a quote for 2-benzyl-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-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide?
Yes, CoreyChem provides custom synthesis services for 2-benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.