(E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide
TL;DR: (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide (CAS 791789-29-2) is a chemical compound with molecular formula C13H17N3OS2 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide
Also Known As: AN-329/40200361, (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide, N-[(4-methyl-1-piperazinyl)carbothioyl]-3-(2-thienyl)acrylamide, (E)-N-(4-methylpiperazine-1-carbonothioyl)-3-(thiophen-2-yl)acrylamide, (2E)-N-[(E)-4-METHYLPIPERAZINE-1-CARBOTHIOYL]-3-(THIOPHEN-2-YL)PROP-2-ENAMIDE
| Molecular Formula | C13H17N3OS2 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 1.4098 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.0813 |
| Heavy Atoms | 19 |
| Complexity | 462.2427 |
Chemical Identifiers
| CAS Number | 791789-29-2 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=CS2 |
Product Overview
(E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide (CAS 791789-29-2), with molecular formula C13H17N3OS2 and molecular weight 295.08 g/mol. IUPAC: (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide.
Chemical Property Profile of (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide
Property Insights of (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide
The XLogP value of 1.4098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide. With a topological polar surface area (TPSA) of 35.58 Ų, (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide 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)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide?
The CAS number of (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide is 791789-29-2.
What is the molecular formula of (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide?
The molecular formula of (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide is C13H17N3OS2.
What is the molecular weight of (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide?
The molecular weight of (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide is 295.08 g/mol.
Where can I buy (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide?
You can request a quote for (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.