![(5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/116/1164489-18-2.png)
(5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione
TL;DR: (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione (CAS 1164489-18-2) is a chemical compound with molecular formula C18H18FN5O3 and molecular weight 371.14 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-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione
Also Known As: (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-(4-fluorobenzyl)-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione, (E)-5-(((3-(1H-imidazol-1-yl)propyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-Fluoro-benzyl)-5-[1-(3-imidazol-1-yl-propylamino)-meth-(E)-ylidene]-pyrimidine-2,4,6-trione, 1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C18H18FN5O3 |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 1.1353 |
| Topological Polar Surface Area | 105.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.13937 |
| Heavy Atoms | 27 |
| Complexity | 1036.3494 |
Chemical Identifiers
| CAS Number | 1164489-18-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=C(C(=O)NC2=O)C=NCCCN3C=CN=C3)O)F |
Product Overview
(5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione (CAS 1164489-18-2), with molecular formula C18H18FN5O3 and molecular weight 371.14 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione.
Chemical Property Profile of (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione
Property Insights of (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 1.1353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 105.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione 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-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione is 1164489-18-2.
What is the molecular formula of (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione is C18H18FN5O3.
What is the molecular weight of (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione is 371.14 g/mol.
Where can I buy (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione 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-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.