(E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide
TL;DR: (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide (CAS 577982-06-0) is a chemical compound with molecular formula C17H26N6O3S and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]ethyl]-N-methylpiperazine-1-carbothioamide
Also Known As: (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide, 4-(2-{1-[1-Allyl-2,4,6-trioxo-tetrahydro-pyrimidin-(5E)-ylidene]-ethylamino}-ethyl)-piperazine-1-carbothio ic acid methylamide, 4-[2-({(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}amino)ethyl]-N-methylpiperazine-1-carbothioamide, N-methyl-4-[2-[[(1Z)-1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethyl]amino]ethyl]piperazine-1-carbothioamide, N-methyl-4-[2-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]ethyl]piperazine-1-carbothioamide
| Molecular Formula | C17H26N6O3S |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | -0.6409 |
| Topological Polar Surface Area | 105.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.1787 |
| Heavy Atoms | 27 |
| Complexity | 836.05096 |
Chemical Identifiers
| CAS Number | 577982-06-0 |
|---|---|
| SMILES | CC(=NCCN1CCN(CC1)C(=S)NC)C2=C(N(C(=O)NC2=O)CC=C)O |
Product Overview
(E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide (CAS 577982-06-0), with molecular formula C17H26N6O3S and molecular weight 394.18 g/mol. IUPAC: 4-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]ethyl]-N-methylpiperazine-1-carbothioamide.
Chemical Property Profile of (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide
Property Insights of (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide
The XLogP value of -0.6409 indicates that (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide. Following Lipinski's Rule of Five, (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide has 3 hydrogen bond donor(s) and 6 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-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide?
The CAS number of (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide is 577982-06-0.
What is the molecular formula of (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide?
The molecular formula of (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide is C17H26N6O3S.
What is the molecular weight of (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide?
The molecular weight of (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide is 394.18 g/mol.
Where can I buy (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide?
You can request a quote for (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.