5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 877809-07-9) is a chemical compound with molecular formula C15H23N5O3S and molecular weight 353.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-acetylpiperazin-1-yl)ethyliminomethyl]-6-hydroxy-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-({[2-(4-acetylpiperazin-1-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C15H23N5O3S |
|---|---|
| Molecular Weight | 353.15 g/mol |
| LogP | -0.25811 |
| Topological Polar Surface Area | 83.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.15216 |
| Heavy Atoms | 24 |
| Complexity | 759.59863 |
Chemical Identifiers
| CAS Number | 877809-07-9 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)CCN=CC2=C(N(C(=S)N(C2=O)C)C)O |
Product Overview
5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 877809-07-9), with molecular formula C15H23N5O3S and molecular weight 353.15 g/mol. IUPAC: 5-[2-(4-acetylpiperazin-1-yl)ethyliminomethyl]-6-hydroxy-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of -0.25811 indicates that 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 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 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 877809-07-9.
What is the molecular formula of 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C15H23N5O3S.
What is the molecular weight of 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 353.15 g/mol.
Where can I buy 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.