![2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile structure](/static/products/336/336180-86-0.png)
2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile
TL;DR: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile (CAS 336180-86-0) is a chemical compound with molecular formula C22H19N3O3S and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
Also Known As: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile, 3-cyano-2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-6-methyl-4,3'-bipyridine, 2'-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6'-methyl-[3,4'-bipyridine]-3'-carbonitrile, 2'-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-6'-methyl-3,4'-bipyridine-3'-carbonitrile, 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
| Molecular Formula | C22H19N3O3S |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 4.3159 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.11472 |
| Heavy Atoms | 29 |
| Complexity | 1078.6509 |
Chemical Identifiers
| CAS Number | 336180-86-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC(=O)C2=CC(=C(C=C2)OC)OC)C#N)C3=CN=CC=C3 |
Product Overview
2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile (CAS 336180-86-0), with molecular formula C22H19N3O3S and molecular weight 405.11 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile
Property Insights of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile
The XLogP value of 4.3159 indicates that 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile. Following Lipinski's Rule of Five, 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile has 0 hydrogen bond donor(s) and 7 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-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile?
The CAS number of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile is 336180-86-0.
What is the molecular formula of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile?
The molecular formula of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile is C22H19N3O3S.
What is the molecular weight of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile?
The molecular weight of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile is 405.11 g/mol.
Where can I buy 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile?
You can request a quote for 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile 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-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-methyl-4-(3-pyridyl)pyridine-3-ca rbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.