4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile
TL;DR: 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile (CAS 371780-30-2) is a chemical compound with molecular formula C27H22N2O4S2 and molecular weight 502.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile, 4-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile, 4-(3,4-dimethoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile
| Molecular Formula | C27H22N2O4S2 |
|---|---|
| Molecular Weight | 502.10 g/mol |
| LogP | 6.34958 |
| Topological Polar Surface Area | 81.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.1021 |
| Heavy Atoms | 35 |
| Complexity | 1377.8093 |
Chemical Identifiers
| CAS Number | 371780-30-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC)C#N |
Product Overview
4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile (CAS 371780-30-2), with molecular formula C27H22N2O4S2 and molecular weight 502.10 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile
Property Insights of 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile
The XLogP value of 6.34958 indicates that 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile. Following Lipinski's Rule of Five, 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile?
The CAS number of 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile is 371780-30-2.
What is the molecular formula of 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile?
The molecular formula of 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile is C27H22N2O4S2.
What is the molecular weight of 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile?
The molecular weight of 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile is 502.10 g/mol.
Where can I buy 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile?
You can request a quote for 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dimethoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.