4N-387S
TL;DR: 4N-387S (CAS 338749-82-9) is a chemical compound with molecular formula C20H12ClF3N2O2 and molecular weight 404.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 4N-387S, 6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-4-(trifluoromethyl)nicotinonitrile, 6-(4-Chlorophenyl)-2-(4-methoxyphenoxy)-4-(trifluoromethyl)-3-pyridinecarbonitrile
| Molecular Formula | C20H12ClF3N2O2 |
|---|---|
| Molecular Weight | 404.05 g/mol |
| LogP | 6.09338 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.05392 |
| Heavy Atoms | 28 |
| Complexity | 1027.547 |
Chemical Identifiers
| CAS Number | 338749-82-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C(F)(F)F)C#N |
Product Overview
4N-387S (CAS 338749-82-9), with molecular formula C20H12ClF3N2O2 and molecular weight 404.05 g/mol. IUPAC: 6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 4N-387S
Property Insights of 4N-387S
The XLogP value of 6.09338 indicates that 4N-387S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.14 Ų, 4N-387S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4N-387S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4N-387S?
The CAS number of 4N-387S is 338749-82-9.
What is the molecular formula of 4N-387S?
The molecular formula of 4N-387S is C20H12ClF3N2O2.
What is the molecular weight of 4N-387S?
The molecular weight of 4N-387S is 404.05 g/mol.
Where can I buy 4N-387S?
You can request a quote for 4N-387S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4N-387S?
Yes, KEHONG BIO provides custom synthesis services for 4N-387S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.