![2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile structure](/static/products/313/313380-22-2.png)
2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile
TL;DR: 2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile (CAS 313380-22-2) is a chemical compound with molecular formula C19H13FN2S and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-6-phenylpyridine-3-carbonitrile
Also Known As: 2-[(2-fluorobenzyl)thio]-6-phenylnicotinonitrile, 2-[(2-fluorobenzyl)sulfanyl]-6-phenylnicotinonitrile, 2-((2-fluorobenzyl)thio)-6-phenylnicotinonitrile, 2-[(2-fluorophenyl)methylsulfanyl]-6-phenylpyridine-3-carbonitrile, 2-[(2-fluorobenzyl)sulfanyl]-6-phenylpyridine-3-carbonitrile
| Molecular Formula | C19H13FN2S |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.07834 |
| Heavy Atoms | 23 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 313380-22-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC3=CC=CC=C3F |
| InChIKey | OPLBCHRTTWKSDU-UHFFFAOYSA-N |
Product Overview
2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile (CAS 313380-22-2), with molecular formula C19H13FN2S and molecular weight 320.08 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile
Property Insights of 2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile
The XLogP value of 4.7 indicates that 2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile. Following Lipinski's Rule of Five, 2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile has 0 hydrogen bond donor(s) and 4 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-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile?
The CAS number of 2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile is 313380-22-2.
What is the molecular formula of 2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile?
The molecular formula of 2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile is C19H13FN2S.
What is the molecular weight of 2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile?
The molecular weight of 2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile is 320.08 g/mol.
Where can I buy 2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile?
You can request a quote for 2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Fluorobenzyl)thio]-6-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.