2-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 459150-36-8) is a chemical compound with molecular formula C20H22N2O2S2 and molecular weight 386.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzylsulfinyl-2-hydroxypropyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-(3-benzylsulfinyl-2-hydroxy-propyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-(3-benzylsulfinyl-2-hydroxypropyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-{[3-(benzylsulfinyl)-2-hydroxypropyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C20H22N2O2S2 |
|---|---|
| Molecular Weight | 386.11 g/mol |
| LogP | 3.23398 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.11227 |
| Heavy Atoms | 26 |
| Complexity | 818.55115 |
Chemical Identifiers
| CAS Number | 459150-36-8 |
|---|---|
| SMILES | C1CCC2=NC(=C(C=C2C1)C#N)SCC(CS(=O)CC3=CC=CC=C3)O |
Product Overview
2-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 459150-36-8), with molecular formula C20H22N2O2S2 and molecular weight 386.11 g/mol. IUPAC: 2-(3-benzylsulfinyl-2-hydroxypropyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 3.23398 indicates that 2-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-((3-(benzylsulfinyl)-2-hydroxypropyl)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-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 459150-36-8.
What is the molecular formula of 2-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C20H22N2O2S2.
What is the molecular weight of 2-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 386.11 g/mol.
Where can I buy 2-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-((3-(benzylsulfinyl)-2-hydroxypropyl)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-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(benzylsulfinyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.