(E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile
TL;DR: (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile (CAS 885186-79-8) is a chemical compound with molecular formula C20H20FN3O2S and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile
Also Known As: VU0605247-1, (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile, F3225-7757, (2E)-3-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE, (E)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile
| Molecular Formula | C20H20FN3O2S |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 3.095 |
| Topological Polar Surface Area | 64.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.12604 |
| Heavy Atoms | 27 |
| Complexity | 969.382 |
Chemical Identifiers
| CAS Number | 885186-79-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)/C(=C/N2CCN(CC2)C3=CC=C(C=C3)F)/C#N |
Product Overview
(E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile (CAS 885186-79-8), with molecular formula C20H20FN3O2S and molecular weight 385.13 g/mol. IUPAC: (E)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile
Property Insights of (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile
The XLogP value of 3.095 indicates that (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile. Following Lipinski's Rule of Five, (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile has 0 hydrogen bond donor(s) and 5 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 (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile?
The CAS number of (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile is 885186-79-8.
What is the molecular formula of (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile?
The molecular formula of (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile is C20H20FN3O2S.
What is the molecular weight of (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile?
The molecular weight of (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile is 385.13 g/mol.
Where can I buy (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile?
You can request a quote for (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-(4-fluorophenyl)piperazin-1-yl)-2-tosylacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.