5N-320S
TL;DR: 5N-320S (CAS 338963-48-7) is a chemical compound with molecular formula C20H12ClF3N2S and molecular weight 404.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chlorophenyl)-2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 5N-320S, 6-(2-chlorophenyl)-2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-(2-chlorophenyl)-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile, 6-(2-chlorophenyl)-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C20H12ClF3N2S |
|---|---|
| Molecular Weight | 404.04 g/mol |
| LogP | 6.7521 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.0362 |
| Heavy Atoms | 27 |
| Complexity | 1024.8773 |
Chemical Identifiers
| CAS Number | 338963-48-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C(=CC(=N2)C3=CC=CC=C3Cl)C(F)(F)F)C#N |
Product Overview
5N-320S (CAS 338963-48-7), with molecular formula C20H12ClF3N2S and molecular weight 404.04 g/mol. IUPAC: 6-(2-chlorophenyl)-2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 5N-320S
Property Insights of 5N-320S
The XLogP value of 6.7521 indicates that 5N-320S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 5N-320S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5N-320S 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 5N-320S?
The CAS number of 5N-320S is 338963-48-7.
What is the molecular formula of 5N-320S?
The molecular formula of 5N-320S is C20H12ClF3N2S.
What is the molecular weight of 5N-320S?
The molecular weight of 5N-320S is 404.04 g/mol.
Where can I buy 5N-320S?
You can request a quote for 5N-320S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5N-320S?
Yes, KEHONG BIO provides custom synthesis services for 5N-320S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.