3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile
TL;DR: 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile (CAS 1025632-62-5) is a chemical compound with molecular formula C20H20BrN3O2S and molecular weight 445.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonylprop-2-enenitrile
Also Known As: 2-((4-BROMOPHENYL)SULFONYL)-3-(4-BENZYLPIPERAZINYL)PROP-2-ENENITRILE, 3-(4-benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile, 3-(4-benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonylprop-2-enenitrile
| Molecular Formula | C20H20BrN3O2S |
|---|---|
| Molecular Weight | 445.05 g/mol |
| LogP | 3.40558 |
| Topological Polar Surface Area | 64.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.04596 |
| Heavy Atoms | 27 |
| Complexity | 942.9714 |
Chemical Identifiers
| CAS Number | 1025632-62-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile (CAS 1025632-62-5), with molecular formula C20H20BrN3O2S and molecular weight 445.05 g/mol. IUPAC: 3-(4-benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile
Property Insights of 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile
The XLogP value of 3.40558 indicates that 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile 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 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile 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 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile?
The CAS number of 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile is 1025632-62-5.
What is the molecular formula of 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile?
The molecular formula of 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile is C20H20BrN3O2S.
What is the molecular weight of 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile?
The molecular weight of 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile is 445.05 g/mol.
Where can I buy 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile?
You can request a quote for 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.