![(5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/579/579441-93-3.png)
(5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 579441-93-3) is a chemical compound with molecular formula C17H28N4O2S and molecular weight 352.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-6-hydroxy-5-(3-piperidin-1-ylpropyliminomethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-1-butyl-5-(((3-(piperidin-1-yl)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-butyl-5-[[3-(1-piperidyl)propylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C17H28N4O2S |
|---|---|
| Molecular Weight | 352.19 g/mol |
| LogP | 2.70649 |
| Topological Polar Surface Area | 73.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.1933 |
| Heavy Atoms | 24 |
| Complexity | 659.53485 |
Chemical Identifiers
| CAS Number | 579441-93-3 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=S)C=NCCCN2CCCCC2)O |
Product Overview
(5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 579441-93-3), with molecular formula C17H28N4O2S and molecular weight 352.19 g/mol. IUPAC: 1-butyl-6-hydroxy-5-(3-piperidin-1-ylpropyliminomethyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.70649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 73.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)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-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 579441-93-3.
What is the molecular formula of (5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C17H28N4O2S.
What is the molecular weight of (5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 352.19 g/mol.
Where can I buy (5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)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-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-butyl-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.