![(5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/116/1164485-49-7.png)
(5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 1164485-49-7) is a chemical compound with molecular formula C25H32N4O2S and molecular weight 452.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1-benzylpiperidin-4-yl)iminomethyl]-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-(((1-benzylpiperidin-4-yl)amino)methylene)-1-(2-(cyclohex-1-en-1-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[1-(1-Benzyl-piperidin-4-ylamino)-meth-(E)-ylidene]-1-(2-cyclohex-1-enyl-ethyl)-2-thioxo-dihydro-pyri midine-4,6-dione
| Molecular Formula | C25H32N4O2S |
|---|---|
| Molecular Weight | 452.22 g/mol |
| LogP | 4.58549 |
| Topological Polar Surface Area | 73.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.2246 |
| Heavy Atoms | 32 |
| Complexity | 1079.3561 |
Chemical Identifiers
| CAS Number | 1164485-49-7 |
|---|---|
| SMILES | C1CCC(=CC1)CCN2C(=C(C(=O)NC2=S)C=NC3CCN(CC3)CC4=CC=CC=C4)O |
Product Overview
(5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 1164485-49-7), with molecular formula C25H32N4O2S and molecular weight 452.22 g/mol. IUPAC: 5-[(1-benzylpiperidin-4-yl)iminomethyl]-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 4.58549 indicates that (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-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)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-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)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione is 1164485-49-7.
What is the molecular formula of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione is C25H32N4O2S.
What is the molecular weight of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione is 452.22 g/mol.
Where can I buy (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-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)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.