6-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
TL;DR: 6-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile (CAS 496799-10-1) is a chemical compound with molecular formula C23H24N2O2S and molecular weight 392.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: 6-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile, 4-(4-(benzyloxy)phenyl)-2-(butylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-[4-(benzyloxy)phenyl]-2-(butylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C23H24N2O2S |
|---|---|
| Molecular Weight | 392.16 g/mol |
| LogP | 5.13758 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.15585 |
| Heavy Atoms | 28 |
| Complexity | 869.7254 |
Chemical Identifiers
| CAS Number | 496799-10-1 |
|---|---|
| SMILES | CCCCSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N |
Product Overview
6-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile (CAS 496799-10-1), with molecular formula C23H24N2O2S and molecular weight 392.16 g/mol. IUPAC: 6-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 6-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
Property Insights of 6-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
The XLogP value of 5.13758 indicates that 6-butylsulfanyl-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-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 6-butylsulfanyl-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-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile?
The CAS number of 6-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile is 496799-10-1.
What is the molecular formula of 6-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile?
The molecular formula of 6-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile is C23H24N2O2S.
What is the molecular weight of 6-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile?
The molecular weight of 6-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile is 392.16 g/mol.
Where can I buy 6-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile?
You can request a quote for 6-butylsulfanyl-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-butylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-butylsulfanyl-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.