6J-581S
TL;DR: 6J-581S (CAS 338964-89-9) is a chemical compound with molecular formula C20H10F6N2S and molecular weight 424.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carbonitrile
Also Known As: 6J-581S, 5-[3-(trifluoromethyl)phenyl]-2-{[3-(trifluoromethyl)phenyl]sulfanyl}nicotinonitrile, 5-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carbonitrile, 5-[3-(trifluoromethyl)phenyl]-2-{[3-(trifluoromethyl)phenyl]sulfanyl}pyridine-3-carbonitrile, 5-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carbonitrile
| Molecular Formula | C20H10F6N2S |
|---|---|
| Molecular Weight | 424.05 g/mol |
| LogP | 6.80908 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.04688 |
| Heavy Atoms | 29 |
| Complexity | 1083.3052 |
Chemical Identifiers
| CAS Number | 338964-89-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=C(N=C2)SC3=CC=CC(=C3)C(F)(F)F)C#N |
Product Overview
6J-581S (CAS 338964-89-9), with molecular formula C20H10F6N2S and molecular weight 424.05 g/mol. IUPAC: 5-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 6J-581S
Property Insights of 6J-581S
The XLogP value of 6.80908 indicates that 6J-581S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 6J-581S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6J-581S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6J-581S?
The CAS number of 6J-581S is 338964-89-9.
What is the molecular formula of 6J-581S?
The molecular formula of 6J-581S is C20H10F6N2S.
What is the molecular weight of 6J-581S?
The molecular weight of 6J-581S is 424.05 g/mol.
Where can I buy 6J-581S?
You can request a quote for 6J-581S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6J-581S?
Yes, KEHONG BIO provides custom synthesis services for 6J-581S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.