![2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile structure](/static/products/3127/312758-03-5.webp)
2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
TL;DR: 2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile (CAS 312758-03-5) is a chemical compound with molecular formula C15H13ClN2S and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 2-((4-chlorobenzyl)thio)-4,6-dimethylnicotinonitrile, BAS 00635218, 2-{[(4-chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile, F1798-0450, 2-[(4-chlorobenzyl)sulfanyl]-4,6-dimethylpyridine-3-carbonitrile
| Molecular Formula | C15H13ClN2S |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0488 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 312758-03-5 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)Cl)C |
| InChIKey | IUZXSGUVMSCXBF-UHFFFAOYSA-N |
Product Overview
2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile (CAS 312758-03-5), with molecular formula C15H13ClN2S and molecular weight 288.05 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Property Insights of 2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
The XLogP value of 4.3 indicates that 2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-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 2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-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 2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile?
The CAS number of 2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile is 312758-03-5.
What is the molecular formula of 2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile?
The molecular formula of 2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile is C15H13ClN2S.
What is the molecular weight of 2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile?
The molecular weight of 2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile is 288.05 g/mol.
Where can I buy 2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile?
You can request a quote for 2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-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-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.