![2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile structure](/static/products/2210/221052-13-7.webp)
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
TL;DR: 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile (CAS 221052-13-7) is a chemical compound with molecular formula C20H14Cl2N2O2S and molecular weight 416.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
Also Known As: 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile, 2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]thio}-6-methyl-4-(5-methyl-2-furyl)nicotinonitrile, 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-6-methyl-4-(5-methylfuran-2-yl)nicotinonitrile, 2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
| Molecular Formula | C20H14Cl2N2O2S |
|---|---|
| Molecular Weight | 416.02 g/mol |
| LogP | 6.11192 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.0153 |
| Heavy Atoms | 27 |
| Complexity | 1070.3291 |
Chemical Identifiers
| CAS Number | 221052-13-7 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=C(C(=NC(=C2)C)SCC(=O)C3=CC(=C(C=C3)Cl)Cl)C#N |
Product Overview
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile (CAS 221052-13-7), with molecular formula C20H14Cl2N2O2S and molecular weight 416.02 g/mol. IUPAC: 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
Property Insights of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
The XLogP value of 6.11192 indicates that 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The CAS number of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile is 221052-13-7.
What is the molecular formula of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The molecular formula of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile is C20H14Cl2N2O2S.
What is the molecular weight of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The molecular weight of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile is 416.02 g/mol.
Where can I buy 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
You can request a quote for 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-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-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.