![5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile structure](/static/products/6818/681835-60-9.webp)
5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile
TL;DR: 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile (CAS 681835-60-9) is a chemical compound with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)pentanenitrile
Also Known As: BAS 05512205, AN-465/40853658, 5-(1,1-DIOXIDO-2H-NAPHTHO[1,8-CD]ISOTHIAZOL-2-YL)PENTANENITRILE, A3059/0129224, 5-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd]isothiazol-2-yl)-pentanenitrile
| Molecular Formula | C15H14N2O2S |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.0776 |
| Heavy Atoms | 20 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 681835-60-9 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)N(S(=O)(=O)C3=CC=C2)CCCCC#N |
| InChIKey | RQARPIRCBNZHBR-UHFFFAOYSA-N |
Product Overview
5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile (CAS 681835-60-9), with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol. IUPAC: 5-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)pentanenitrile.
Chemical Property Profile of 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile
Property Insights of 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile. Following Lipinski's Rule of Five, 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile has 0 hydrogen bond donor(s) and 4 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 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile?
The CAS number of 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile is 681835-60-9.
What is the molecular formula of 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile?
The molecular formula of 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile is C15H14N2O2S.
What is the molecular weight of 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile?
The molecular weight of 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile is 286.08 g/mol.
Where can I buy 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile?
You can request a quote for 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,1-Dioxido-2H-naphtho[1,8-CD]isothiazol-2-YL)pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.