4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile
TL;DR: 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile (CAS 285994-62-9) is a chemical compound with molecular formula C20H20F2N2O2S and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]sulfonylbenzonitrile
Also Known As: DEPS-benzonitrile, J1.718.899B, 4-[1-(2,4-Difluorophenethyl)-4-piperidinylsulfonyl]benzonitrile, 4-((1-(2-(2,4-difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile, 4-({1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl}sulfonyl)benzonitrile
| Molecular Formula | C20H20F2N2O2S |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | 3.31728 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.12137 |
| Heavy Atoms | 27 |
| Complexity | 944.93726 |
Chemical Identifiers
| CAS Number | 285994-62-9 |
|---|---|
| SMILES | C1CN(CCC1S(=O)(=O)C2=CC=C(C=C2)C#N)CCC3=C(C=C(C=C3)F)F |
Product Overview
4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile (CAS 285994-62-9), with molecular formula C20H20F2N2O2S and molecular weight 390.12 g/mol. IUPAC: 4-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]sulfonylbenzonitrile.
Chemical Property Profile of 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile
Property Insights of 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile
The XLogP value of 3.31728 indicates that 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile. Following Lipinski's Rule of Five, 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile?
The CAS number of 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile is 285994-62-9.
What is the molecular formula of 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile?
The molecular formula of 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile is C20H20F2N2O2S.
What is the molecular weight of 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile?
The molecular weight of 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile is 390.12 g/mol.
Where can I buy 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile?
You can request a quote for 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.