![(5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/587/587000-97-3.png)
(5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 587000-97-3) is a chemical compound with molecular formula C18H21FN4O3S and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-morpholin-4-ylethyliminomethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-1-(4-fluorobenzyl)-5-(((2-morpholinoethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C18H21FN4O3S |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 1.54999 |
| Topological Polar Surface Area | 82.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.13184 |
| Heavy Atoms | 27 |
| Complexity | 917.68445 |
Chemical Identifiers
| CAS Number | 587000-97-3 |
|---|---|
| SMILES | C1COCCN1CCN=CC2=C(N(C(=S)NC2=O)CC3=CC=C(C=C3)F)O |
Product Overview
(5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 587000-97-3), with molecular formula C18H21FN4O3S and molecular weight 392.13 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-morpholin-4-ylethyliminomethyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 1.54999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 82.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-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 (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 587000-97-3.
What is the molecular formula of (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C18H21FN4O3S.
What is the molecular weight of (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 392.13 g/mol.
Where can I buy (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)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-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.