(E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide
TL;DR: (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide (CAS 332115-14-7) is a chemical compound with molecular formula C23H29N3O2S and molecular weight 411.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[(E)-3-(4-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
Also Known As: (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide, 4-tert-butyl-N-[(E)-3-(4-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
| Molecular Formula | C23H29N3O2S |
|---|---|
| Molecular Weight | 411.20 g/mol |
| LogP | 3.5905 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.19806 |
| Heavy Atoms | 29 |
| Complexity | 871.8468 |
Chemical Identifiers
| CAS Number | 332115-14-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)N3CCN(CC3)C |
Product Overview
(E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide (CAS 332115-14-7), with molecular formula C23H29N3O2S and molecular weight 411.20 g/mol. IUPAC: 4-tert-butyl-N-[(E)-3-(4-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide.
Chemical Property Profile of (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide
Property Insights of (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide
The XLogP value of 3.5905 indicates that (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide has 1 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 (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide?
The CAS number of (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide is 332115-14-7.
What is the molecular formula of (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide?
The molecular formula of (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide is C23H29N3O2S.
What is the molecular weight of (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide?
The molecular weight of (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide is 411.20 g/mol.
Where can I buy (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide?
You can request a quote for (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.