4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile
TL;DR: 4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile (CAS 478245-83-9) is a chemical compound with molecular formula C13H9FN2S and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-2-methylsulfanylpyridine-3-carbonitrile
Also Known As: 9M-566S, 4-(4-fluorophenyl)-2-(methylsulfanyl)nicotinonitrile, 4-(4-fluorophenyl)-2-methylsulfanylpyridine-3-carbonitrile, 4-(4-fluorophenyl)-2-(methylsulfanyl)pyridine-3-carbonitrile
| Molecular Formula | C13H9FN2S |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 3.48128 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.04704 |
| Heavy Atoms | 17 |
| Complexity | 572.9636 |
Chemical Identifiers
| CAS Number | 478245-83-9 |
|---|---|
| SMILES | CSC1=NC=CC(=C1C#N)C2=CC=C(C=C2)F |
Product Overview
4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile (CAS 478245-83-9), with molecular formula C13H9FN2S and molecular weight 244.05 g/mol. IUPAC: 4-(4-fluorophenyl)-2-methylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile
Property Insights of 4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile
The XLogP value of 3.48128 indicates that 4-(4-Fluorophenyl)-2-(methylsulfanyl)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, 4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Fluorophenyl)-2-(methylsulfanyl)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 4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile?
The CAS number of 4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile is 478245-83-9.
What is the molecular formula of 4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile?
The molecular formula of 4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile is C13H9FN2S.
What is the molecular weight of 4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile?
The molecular weight of 4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile is 244.05 g/mol.
Where can I buy 4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile?
You can request a quote for 4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Fluorophenyl)-2-(methylsulfanyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.