(E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide
TL;DR: (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide (CAS 1164549-07-8) is a chemical compound with molecular formula C16H21N3OS and molecular weight 303.14053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide
Also Known As: BAS 00435534, N-(4-Methyl-piperazine-1-carbothioyl)-3-p-tolyl-acrylamide, (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide, (E)-N-(4-methylpiperazine-1-carbonothioyl)-3-(p-tolyl)acrylamide, 3-(4-methylphenyl)-N-[(4-methyl-1-piperazinyl)carbonothioyl]acrylamide
Technical Specifications
| Molecular Formula | C16H21N3OS |
| Molecular Weight | 303.14053 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.14053 Da |
| Heavy Atoms | 21 |
| Complexity | 394.0 |
| SMILES | CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCN(CC2)C |
| InChIKey | RSJZMNOQEJTTHS-BQYQJAHWSA-N |
Chemical Property Profile of (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide
Property Insights of (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide?
The CAS number of (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide is 1164549-07-8.
What is the molecular formula of (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide?
The molecular formula of (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide is C16H21N3OS.
What is the molecular weight of (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide?
The molecular weight of (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide is 303.14053 g/mol.
Where can I buy (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide?
You can request a quote for (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide?
Yes, CoreyChem provides custom synthesis services for (E)-3-(4-methylphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.