2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
TL;DR: 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile (CAS 126888-08-2) is a chemical compound with molecular formula C21H18N2OS and molecular weight 346.11398 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylsulfanyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
Also Known As: BAS 00851102, 2-(ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile, 2-ethylsulfanyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile, 2-Ethylsulfanyl-4-(4-methoxy-phenyl)-6-phenyl-nicotinonitrile, 2-(ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
Technical Specifications
| Molecular Formula | C21H18N2OS |
| Molecular Weight | 346.11398 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.11398 Da |
| Heavy Atoms | 25 |
| Complexity | 448.0 |
| SMILES | CCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC)C#N |
| InChIKey | HZKHVNILFWOMOU-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
Property Insights of 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
The XLogP value of 5.0 indicates that 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile. Following Lipinski's Rule of Five, 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
The CAS number of 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile is 126888-08-2.
What is the molecular formula of 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
The molecular formula of 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile is C21H18N2OS.
What is the molecular weight of 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
The molecular weight of 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile is 346.11398 g/mol.
Where can I buy 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
You can request a quote for 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.