(E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 848992-46-1) is a chemical compound with molecular formula C25H33N5O2S and molecular weight 467.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(4-ethylpiperazin-1-yl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(4-ethylpiperazin-1-yl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C25H33N5O2S |
|---|---|
| Molecular Weight | 467.24 g/mol |
| LogP | 4.39449 |
| Topological Polar Surface Area | 76.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.2355 |
| Heavy Atoms | 33 |
| Complexity | 1124.9668 |
Chemical Identifiers
| CAS Number | 848992-46-1 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=CC=C(C=C2)N=CC3=C(N(C(=S)NC3=O)CCC4=CCCCC4)O |
Product Overview
(E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 848992-46-1), with molecular formula C25H33N5O2S and molecular weight 467.24 g/mol. IUPAC: 1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.39449 indicates that (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 2 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)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 848992-46-1.
What is the molecular formula of (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C25H33N5O2S.
What is the molecular weight of (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 467.24 g/mol.
Where can I buy (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-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 (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(4-ethylpiperazin-1-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.