4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile
TL;DR: 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile (CAS 78564-17-7) is a chemical compound with molecular formula C19H14N2OS and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: TimTec1_001777, AETDFPIPBBHCQI-UHFFFAOYSA-, 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile, BAS 00916316, NCI60_025372
| Molecular Formula | C19H14N2OS |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.08267 |
| Heavy Atoms | 23 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 78564-17-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=S)NC(=C2)C3=CC=CC=C3)C#N |
| InChIKey | AETDFPIPBBHCQI-UHFFFAOYSA-N |
Product Overview
4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile (CAS 78564-17-7), with molecular formula C19H14N2OS and molecular weight 318.08 g/mol. IUPAC: 4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile
Property Insights of 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile
The XLogP value of 3.5 indicates that 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile has 1 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 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile?
The CAS number of 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile is 78564-17-7.
What is the molecular formula of 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile?
The molecular formula of 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile is C19H14N2OS.
What is the molecular weight of 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile?
The molecular weight of 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile is 318.08 g/mol.
Where can I buy 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile?
You can request a quote for 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-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 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.