2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile
TL;DR: 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile (CAS 360761-30-4) is a chemical compound with molecular formula C19H30N2O3S2 and molecular weight 398.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxy-3-octylsulfonylpropyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile, 2-(2-hydroxy-3-octylsulfonyl-propyl)sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile, 2-(2-hydroxy-3-octylsulfonylpropyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile, 2-{[2-hydroxy-3-(octylsulfonyl)propyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
| Molecular Formula | C19H30N2O3S2 |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | 3.79842 |
| Topological Polar Surface Area | 91.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 398.1698 |
| Heavy Atoms | 26 |
| Complexity | 712.2298 |
Chemical Identifiers
| CAS Number | 360761-30-4 |
|---|---|
| SMILES | CCCCCCCCS(=O)(=O)CC(CSC1=C(C(=CC(=N1)C)C)C#N)O |
Product Overview
2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile (CAS 360761-30-4), with molecular formula C19H30N2O3S2 and molecular weight 398.17 g/mol. IUPAC: 2-(2-hydroxy-3-octylsulfonylpropyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile
Property Insights of 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile
The XLogP value of 3.79842 indicates that 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile. Following Lipinski's Rule of Five, 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile has 1 hydrogen bond donor(s) and 6 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-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile?
The CAS number of 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile is 360761-30-4.
What is the molecular formula of 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile?
The molecular formula of 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile is C19H30N2O3S2.
What is the molecular weight of 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile?
The molecular weight of 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile is 398.17 g/mol.
Where can I buy 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile?
You can request a quote for 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-hydroxy-3-(octylsulfonyl)propyl)thio)-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.