![6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile structure](/static/products/4894/489441-68-1.webp)
6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
TL;DR: 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile (CAS 489441-68-1) is a chemical compound with molecular formula C26H21ClN2O2S and molecular weight 460.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile, 4-(4-(benzyloxy)phenyl)-2-((4-chlorobenzyl)thio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-[4-(benzyloxy)phenyl]-2-[(4-chlorobenzyl)sulfanyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C26H21ClN2O2S |
|---|---|
| Molecular Weight | 460.10 g/mol |
| LogP | 6.19108 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.10123 |
| Heavy Atoms | 32 |
| Complexity | 1153.1862 |
Chemical Identifiers
| CAS Number | 489441-68-1 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4 |
Product Overview
6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile (CAS 489441-68-1), with molecular formula C26H21ClN2O2S and molecular weight 460.10 g/mol. IUPAC: 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
Property Insights of 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
The XLogP value of 6.19108 indicates that 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile?
The CAS number of 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile is 489441-68-1.
What is the molecular formula of 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile?
The molecular formula of 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile is C26H21ClN2O2S.
What is the molecular weight of 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile?
The molecular weight of 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile is 460.10 g/mol.
Where can I buy 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile?
You can request a quote for 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.