(E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide
TL;DR: (E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide (CAS 672919-48-1) is a chemical compound with molecular formula C20H26N6O2S2 and molecular weight 446.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[[6-hydroxy-1-(4-methylphenyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]ethyl]-N-methylpiperazine-1-carbothioamide
Also Known As: (E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide, N-methyl-4-[2-({(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)ethyl]piperazine-1-carbothioamide, N-methyl-4-[2-[[(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]amino]ethyl]piperazine-1-carbothioamide, N-methyl-4-[2-[[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]ethyl]piperazine-1-carbothioamide
| Molecular Formula | C20H26N6O2S2 |
|---|---|
| Molecular Weight | 446.16 g/mol |
| LogP | 1.44991 |
| Topological Polar Surface Area | 88.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.15585 |
| Heavy Atoms | 30 |
| Complexity | 1036.7427 |
Chemical Identifiers
| CAS Number | 672919-48-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C=NCCN3CCN(CC3)C(=S)NC)O |
Product Overview
(E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide (CAS 672919-48-1), with molecular formula C20H26N6O2S2 and molecular weight 446.16 g/mol. IUPAC: 4-[2-[[6-hydroxy-1-(4-methylphenyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]ethyl]-N-methylpiperazine-1-carbothioamide.
Chemical Property Profile of (E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide
Property Insights of (E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide
The XLogP value of 1.44991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide. The TPSA of 88.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide. Following Lipinski's Rule of Five, (E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)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-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide?
The CAS number of (E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide is 672919-48-1.
What is the molecular formula of (E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide?
The molecular formula of (E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide is C20H26N6O2S2.
What is the molecular weight of (E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide?
The molecular weight of (E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide is 446.16 g/mol.
Where can I buy (E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide?
You can request a quote for (E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)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-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-(((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.