2H-Naphth(1,8-cd)isothiazole 1,1-dioxide
TL;DR: 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide (CAS 603-72-5) is a chemical compound with molecular formula C10H7NO2S and molecular weight 205.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
Also Known As: 1,8-Naphthosultam, 1,8-Naphthalenesultam, 2H-naphtho[1,8-cd]isothiazole 1,1-dioxide, 1,8-Naphthasultam, 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide
| Molecular Formula | C10H7NO2S |
|---|---|
| Molecular Weight | 205.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.01974 |
| Heavy Atoms | 14 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 603-72-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)NS(=O)(=O)C3=CC=C2 |
| InChIKey | HOBYPSNNFBRLIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-Naphth(1,8-cd)isothiazole 1,1-dioxide (CAS 603-72-5), with molecular formula C10H7NO2S and molecular weight 205.02 g/mol. IUPAC: 2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide.
Chemical Property Profile of 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide
Property Insights of 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide. With a topological polar surface area (TPSA) of 54.6 Ų, 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide?
The CAS number of 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide is 603-72-5.
What is the molecular formula of 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide?
The molecular formula of 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide is C10H7NO2S.
What is the molecular weight of 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide?
The molecular weight of 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide is 205.02 g/mol.
Where can I buy 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide?
You can request a quote for 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-Naphth(1,8-cd)isothiazole 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.