2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 459155-64-7) is a chemical compound with molecular formula C18H24N2O2S2 and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-hydroxy-2-methylsulfinylcyclohexyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-({[1-hydroxy-2-(methylsulfinyl)cyclohexyl]methyl}sulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[(1-hydroxy-2-methylsulfinylcyclohexyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C18H24N2O2S2 |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | 2.97638 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.12793 |
| Heavy Atoms | 24 |
| Complexity | 686.3317 |
Chemical Identifiers
| CAS Number | 459155-64-7 |
|---|---|
| SMILES | CS(=O)C1CCCCC1(CSC2=C(C=C3CCCCC3=N2)C#N)O |
Product Overview
2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 459155-64-7), with molecular formula C18H24N2O2S2 and molecular weight 364.13 g/mol. IUPAC: 2-[(1-hydroxy-2-methylsulfinylcyclohexyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 2.97638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 5 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-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 459155-64-7.
What is the molecular formula of 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C18H24N2O2S2.
What is the molecular weight of 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 364.13 g/mol.
Where can I buy 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.