2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione (CAS 17796-82-6) is a chemical compound with molecular formula C14H15NO2S and molecular weight 261.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclohexylsulfanylisoindole-1,3-dione
Also Known As: N-(Cyclohexylthio)phthalimide, Santogard PVI, 2-(Cyclohexylthio)isoindoline-1,3-dione, Cyclohexylthiophthalimide, Santogard PVI-DS
| Molecular Formula | C14H15NO2S |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.08234 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
| Melting Point | 92.6 °C |
| Boiling Point | 196 °C at 760 mm Hg (decomposes) |
| Density | 1.33 g/mL at 25 °C |
| Solubility | In water, 10.8 mg/L at 20 °C; 18 mg/L at 23 °C; 22 mg/L at 25 °C |
| Flash Point | 177 °C (Cleveland Open Cup) |
| Vapor Pressure | 0.00000004 [mmHg] |
Chemical Identifiers
| CAS Number | 17796-82-6 |
|---|---|
| SMILES | C1CCC(CC1)SN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | UEZWYKZHXASYJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione (CAS 17796-82-6), with molecular formula C14H15NO2S and molecular weight 261.08 g/mol. IUPAC: 2-cyclohexylsulfanylisoindole-1,3-dione.
Chemical Property Profile of 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione 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 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione is 17796-82-6.
What is the molecular formula of 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione is C14H15NO2S.
What is the molecular weight of 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione is 261.08 g/mol.
Where can I buy 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.