4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile
TL;DR: 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile (CAS 379239-73-3) is a chemical compound with molecular formula C14H17N3OS and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridine-3-carbonitrile
Also Known As: 4,6-dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile, F1174-3130, 4,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}pyridine-3-carbonitrile, 4,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridine-3-carbonitrile, 4,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyridine-3-carbonitrile
| Molecular Formula | C14H17N3OS |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | 2.28462 |
| Topological Polar Surface Area | 56.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.10922 |
| Heavy Atoms | 19 |
| Complexity | 530.22797 |
Chemical Identifiers
| CAS Number | 379239-73-3 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC(=O)N2CCCC2)C |
Product Overview
4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile (CAS 379239-73-3), with molecular formula C14H17N3OS and molecular weight 275.11 g/mol. IUPAC: 4,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile
Property Insights of 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile
The XLogP value of 2.28462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile. With a topological polar surface area (TPSA) of 56.99 Ų, 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile 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 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile?
The CAS number of 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile is 379239-73-3.
What is the molecular formula of 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile?
The molecular formula of 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile is C14H17N3OS.
What is the molecular weight of 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile?
The molecular weight of 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile is 275.11 g/mol.
Where can I buy 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile?
You can request a quote for 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.