6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile
TL;DR: 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile (CAS 313402-77-6) is a chemical compound with molecular formula C22H18N2O2S2 and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-cyclopropyl-4-(4-methoxyphenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile
Also Known As: 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile, 6-CYCLOPROPYL-4-(4-METHOXYPHENYL)-2-{[2-OXO-2-(THIOPHEN-2-YL)ETHYL]SULFANYL}PYRIDINE-3-CARBONITRILE, 6-cyclopropyl-4-(4-methoxyphenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile, 6-cyclopropyl-4-(p-methoxyphenyl)-2-[(2-thenoyl)methylthio]nicotinonitrile
| Molecular Formula | C22H18N2O2S2 |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 5.54278 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.08096 |
| Heavy Atoms | 28 |
| Complexity | 1033.6439 |
Chemical Identifiers
| CAS Number | 313402-77-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=CS3)C4CC4 |
Product Overview
6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile (CAS 313402-77-6), with molecular formula C22H18N2O2S2 and molecular weight 406.08 g/mol. IUPAC: 6-cyclopropyl-4-(4-methoxyphenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile
Property Insights of 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile
The XLogP value of 5.54278 indicates that 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile. Following Lipinski's Rule of Five, 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile?
The CAS number of 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile is 313402-77-6.
What is the molecular formula of 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile?
The molecular formula of 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile is C22H18N2O2S2.
What is the molecular weight of 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile?
The molecular weight of 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile is 406.08 g/mol.
Where can I buy 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile?
You can request a quote for 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-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 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-cyclopropyl-4-(4-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.