![N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide structure](/static/products/5255/525581-36-6.webp)
N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide
TL;DR: N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide (CAS 525581-36-6) is a chemical compound with molecular formula C14H22N6O3S and molecular weight 354.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]ethyl]piperazine-1-carbothioamide
Also Known As: N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide, N-ethyl-4-[2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]ethyl]piperazine-1-carbothioamide, 1-piperazinecarbothioamide, N-ethyl-4-[2-[[(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]ethyl]-, 5-{[(2-{4-[(ethylamino)thioxomethyl]piperazinyl}ethyl)amino]methylene}-1,3-dih ydropyrimidine-2,4,6-trione, N-ethyl-4-(2-(((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide
| Molecular Formula | C14H22N6O3S |
|---|---|
| Molecular Weight | 354.15 g/mol |
| LogP | -1.3003 |
| Topological Polar Surface Area | 116.82 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.1474 |
| Heavy Atoms | 24 |
| Complexity | 705.1967 |
Chemical Identifiers
| CAS Number | 525581-36-6 |
|---|---|
| SMILES | CCNC(=S)N1CCN(CC1)CCN=CC2=C(NC(=O)NC2=O)O |
Product Overview
N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide (CAS 525581-36-6), with molecular formula C14H22N6O3S and molecular weight 354.15 g/mol. IUPAC: N-ethyl-4-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]ethyl]piperazine-1-carbothioamide.
Chemical Property Profile of N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide
Property Insights of N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide
The XLogP value of -1.3003 indicates that N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.82 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide has 4 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 N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide?
The CAS number of N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide is 525581-36-6.
What is the molecular formula of N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide?
The molecular formula of N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide is C14H22N6O3S.
What is the molecular weight of N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide?
The molecular weight of N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide is 354.15 g/mol.
Where can I buy N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide?
You can request a quote for N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-4-(2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.