5-Phenyl-2-(phenylsulfanyl)nicotinonitrile
TL;DR: 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile (CAS 338795-41-8) is a chemical compound with molecular formula C18H12N2S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile
Also Known As: 5-phenyl-2-(phenylsulfanyl)nicotinonitrile, 5-phenyl-2-(phenylsulfanyl)pyridine-3-carbonitrile, 5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile
| Molecular Formula | C18H12N2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 4.77148 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0721 |
| Heavy Atoms | 21 |
| Complexity | 777.3186 |
Chemical Identifiers
| CAS Number | 338795-41-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(N=C2)SC3=CC=CC=C3)C#N |
Product Overview
5-Phenyl-2-(phenylsulfanyl)nicotinonitrile (CAS 338795-41-8), with molecular formula C18H12N2S and molecular weight 288.07 g/mol. IUPAC: 5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile
Property Insights of 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile
The XLogP value of 4.77148 indicates that 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile has 0 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 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile?
The CAS number of 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile is 338795-41-8.
What is the molecular formula of 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile?
The molecular formula of 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile is C18H12N2S.
What is the molecular weight of 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile?
The molecular weight of 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile is 288.07 g/mol.
Where can I buy 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile?
You can request a quote for 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-2-(phenylsulfanyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.