4N-321S
TL;DR: 4N-321S (CAS 338749-50-1) 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.
6-phenyl-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]sulfanylpyridine-3-carbonitrile
Also Known As: 4N-321S, 6-phenyl-4-(trifluoromethyl)-2-{[4-(trifluoromethyl)phenyl]sulfanyl}nicotinonitrile, 6-phenyl-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]sulfanylpyridine-3-carbonitrile, 6-phenyl-4-(trifluoromethyl)-2-{[4-(trifluoromethyl)phenyl]sulfanyl}pyridine-3-carbonitrile, 6-phenyl-4-(trifluoromethyl)-2-[4-(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 | 1051.8052 |
Chemical Identifiers
| CAS Number | 338749-50-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SC3=CC=C(C=C3)C(F)(F)F |
Product Overview
4N-321S (CAS 338749-50-1), with molecular formula C20H10F6N2S and molecular weight 424.05 g/mol. IUPAC: 6-phenyl-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]sulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 4N-321S
Property Insights of 4N-321S
The XLogP value of 6.80908 indicates that 4N-321S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 4N-321S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4N-321S 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 4N-321S?
The CAS number of 4N-321S is 338749-50-1.
What is the molecular formula of 4N-321S?
The molecular formula of 4N-321S is C20H10F6N2S.
What is the molecular weight of 4N-321S?
The molecular weight of 4N-321S is 424.05 g/mol.
Where can I buy 4N-321S?
You can request a quote for 4N-321S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4N-321S?
Yes, KEHONG BIO provides custom synthesis services for 4N-321S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.