5N-318S
TL;DR: 5N-318S (CAS 478049-42-2) is a chemical compound with molecular formula C20H9ClF6N2S and molecular weight 458.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carbonitrile
Also Known As: 5N-318S, 6-(4-chlorophenyl)-4-(trifluoromethyl)-2-{[3-(trifluoromethyl)phenyl]sulfanyl}nicotinonitrile, 6-(4-chlorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carbonitrile, 6-(4-chlorophenyl)-4-(trifluoromethyl)-2-{[3-(trifluoromethyl)phenyl]sulfanyl}pyridine-3-carbonitrile
| Molecular Formula | C20H9ClF6N2S |
|---|---|
| Molecular Weight | 458.01 g/mol |
| LogP | 7.46248 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.0079 |
| Heavy Atoms | 30 |
| Complexity | 1118.1113 |
Chemical Identifiers
| CAS Number | 478049-42-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C(F)(F)F)C#N)C(F)(F)F |
Product Overview
5N-318S (CAS 478049-42-2), with molecular formula C20H9ClF6N2S and molecular weight 458.01 g/mol. IUPAC: 6-(4-chlorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 5N-318S
Property Insights of 5N-318S
The XLogP value of 7.46248 indicates that 5N-318S 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-318S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5N-318S 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-318S?
The CAS number of 5N-318S is 478049-42-2.
What is the molecular formula of 5N-318S?
The molecular formula of 5N-318S is C20H9ClF6N2S.
What is the molecular weight of 5N-318S?
The molecular weight of 5N-318S is 458.01 g/mol.
Where can I buy 5N-318S?
You can request a quote for 5N-318S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5N-318S?
Yes, KEHONG BIO provides custom synthesis services for 5N-318S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.