![(5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/586/586987-57-7.png)
(5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 586987-57-7) is a chemical compound with molecular formula C21H26N4O2S and molecular weight 398.18 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-(dimethylamino)phenyl]iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((4-(dimethylamino)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C21H26N4O2S |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 4.31859 |
| Topological Polar Surface Area | 73.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.17764 |
| Heavy Atoms | 28 |
| Complexity | 1000.54614 |
Chemical Identifiers
| CAS Number | 586987-57-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)N=CC2=C(N(C(=S)NC2=O)CCC3=CCCCC3)O |
Product Overview
(5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 586987-57-7), with molecular formula C21H26N4O2S and molecular weight 398.18 g/mol. IUPAC: 1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)phenyl]iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 4.31859 indicates that (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 hydrogen bond donor(s) and 5 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 (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 586987-57-7.
What is the molecular formula of (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C21H26N4O2S.
What is the molecular weight of (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 398.18 g/mol.
Where can I buy (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.