![(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile structure](/static/products/353/353262-37-0.png)
(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile
TL;DR: (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile (CAS 353262-37-0) is a chemical compound with molecular formula C12H8N2O2S and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetonitrile
Also Known As: AI-204/31723036, (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile, 2-(2,2-Dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetonitrile
| Molecular Formula | C12H8N2O2S |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 1.87208 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.03065 |
| Heavy Atoms | 17 |
| Complexity | 754.40955 |
Chemical Identifiers
| CAS Number | 353262-37-0 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)N(S(=O)(=O)C3=CC=C2)CC#N |
Product Overview
(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile (CAS 353262-37-0), with molecular formula C12H8N2O2S and molecular weight 244.03 g/mol. IUPAC: 2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetonitrile.
Chemical Property Profile of (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile
Property Insights of (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile
The XLogP value of 1.87208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile. Following Lipinski's Rule of Five, (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile 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
Frequently Asked Questions
What is the CAS number of (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile?
The CAS number of (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile is 353262-37-0.
What is the molecular formula of (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile?
The molecular formula of (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile is C12H8N2O2S.
What is the molecular weight of (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile?
The molecular weight of (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile is 244.03 g/mol.
Where can I buy (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile?
You can request a quote for (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.