2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile
TL;DR: 2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile (CAS 118947-64-1) is a chemical compound with molecular formula C19H13N3OS and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile
Also Known As: 2-phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile, 2-(phenacylthio)-6-(3-pyridyl)nicotinonitrile, 6-[(2-oxo-2-phenylethyl)sulfanyl]-[2,3'-bipyridine]-5-carbonitrile, 2-(phenacylthio)-6-(3-pyridinyl)-3-pyridinecarbonitrile, 6-[(2-oxo-2-phenylethyl)thio]-2,3'-bipyridine-5-carbonitrile
| Molecular Formula | C19H13N3OS |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.07794 |
| Heavy Atoms | 24 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 118947-64-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=C(C=CC(=N2)C3=CN=CC=C3)C#N |
| InChIKey | SUBGGUVOVGEKJY-UHFFFAOYSA-N |
Product Overview
2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile (CAS 118947-64-1), with molecular formula C19H13N3OS and molecular weight 331.08 g/mol. IUPAC: 2-phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile.
Chemical Property Profile of 2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile
Property Insights of 2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile
The XLogP value of 3.4 indicates that 2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 5 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-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile?
The CAS number of 2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile is 118947-64-1.
What is the molecular formula of 2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile?
The molecular formula of 2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile is C19H13N3OS.
What is the molecular weight of 2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile?
The molecular weight of 2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile is 331.08 g/mol.
Where can I buy 2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile?
You can request a quote for 2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-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-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.