![(5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid structure](/static/products/372/372979-02-7.png)
(5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid
TL;DR: (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid (CAS 372979-02-7) is a chemical compound with molecular formula C20H18FN3O3 and molecular weight 367.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione
Also Known As: 5-[1-(4-Dimethylamino-phenyl)-meth-(E)-ylidene]-1-(4-fluoro-benzyl)-pyrimidine-2,4,6-trione, (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid, (E)-5-(4-(dimethylamino)benzylidene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[(4-dimethylaminophenyl)methylidene]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione, (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H18FN3O3 |
|---|---|
| Molecular Weight | 367.13 g/mol |
| LogP | 2.5537 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.1332 |
| Heavy Atoms | 27 |
| Complexity | 918.49304 |
Chemical Identifiers
| CAS Number | 372979-02-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F |
Product Overview
(5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid (CAS 372979-02-7), with molecular formula C20H18FN3O3 and molecular weight 367.13 g/mol. IUPAC: (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid
Property Insights of (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid
The XLogP value of 2.5537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid. Following Lipinski's Rule of Five, (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid has 1 hydrogen bond donor(s) and 4 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-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid?
The CAS number of (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid is 372979-02-7.
What is the molecular formula of (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid?
The molecular formula of (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid is C20H18FN3O3.
What is the molecular weight of (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid?
The molecular weight of (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid is 367.13 g/mol.
Where can I buy (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid?
You can request a quote for (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[4-(dimethylamino)benzylidene]-1-(4-fluorobenzyl)barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.