![5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile structure](/static/products/313/313380-07-3.png)
5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile
TL;DR: 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile (CAS 313380-07-3) is a chemical compound with molecular formula C18H20N2S and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-4,6-dimethyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile
Also Known As: A1281/0058524, 5-ethyl-4,6-dimethyl-2-((3-methylbenzyl)thio)nicotinonitrile, 5-ethyl-4,6-dimethyl-2-[(3-methylbenzyl)thio]nicotinonitrile, 5-ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile, 5-ethyl-4,6-dimethyl-2-[(3-methylbenzyl)sulfanyl]pyridine-3-carbonitrile
| Molecular Formula | C18H20N2S |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.1347 |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 313380-07-3 |
|---|---|
| SMILES | CCC1=C(C(=C(N=C1C)SCC2=CC=CC(=C2)C)C#N)C |
| InChIKey | PVGZAKGIFBAPSQ-UHFFFAOYSA-N |
Product Overview
5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile (CAS 313380-07-3), with molecular formula C18H20N2S and molecular weight 296.13 g/mol. IUPAC: 5-ethyl-4,6-dimethyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile.
Chemical Property Profile of 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile
Property Insights of 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile
The XLogP value of 4.8 indicates that 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 3 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 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile?
The CAS number of 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile is 313380-07-3.
What is the molecular formula of 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile?
The molecular formula of 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile is C18H20N2S.
What is the molecular weight of 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile?
The molecular weight of 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile is 296.13 g/mol.
Where can I buy 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile?
You can request a quote for 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}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 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.