![(2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile structure](/static/products/116/1164537-44-3.png)
(2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile
TL;DR: (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile (CAS 1164537-44-3) is a chemical compound with molecular formula C18H16BrN3OS and molecular weight 401.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-bromothiophen-2-yl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile
Also Known As: (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile, (2E)-3-(5-bromo(2-thienyl))-2-[(4-phenylpiperazinyl)carbonyl]prop-2-enenitrile, (E)-3-(5-Bromo-thiophen-2-yl)-2-(4-phenyl-piperazine-1-carbonyl)-acrylonitrile, (E)-3-(5-bromothiophen-2-yl)-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile, (E)-3-(5-bromothiophen-2-yl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile
| Molecular Formula | C18H16BrN3OS |
|---|---|
| Molecular Weight | 401.02 g/mol |
| LogP | 3.76638 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.01974 |
| Heavy Atoms | 24 |
| Complexity | 786.0953 |
Chemical Identifiers
| CAS Number | 1164537-44-3 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)/C(=C/C3=CC=C(S3)Br)/C#N |
Product Overview
(2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile (CAS 1164537-44-3), with molecular formula C18H16BrN3OS and molecular weight 401.02 g/mol. IUPAC: (E)-3-(5-bromothiophen-2-yl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile
Property Insights of (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile
The XLogP value of 3.76638 indicates that (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.34 Ų, (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile 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 (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile?
The CAS number of (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile is 1164537-44-3.
What is the molecular formula of (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile?
The molecular formula of (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile is C18H16BrN3OS.
What is the molecular weight of (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile?
The molecular weight of (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile is 401.02 g/mol.
Where can I buy (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile?
You can request a quote for (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]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 (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(5-bromothiophen-2-yl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.