![(5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid structure](/static/products/116/1164489-10-4.png)
(5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid
TL;DR: (5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid (CAS 1164489-10-4) is a chemical compound with molecular formula C20H17FN2O5 and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-[2-(4-fluorophenyl)ethyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid, (5E)-1-[2-(4-fluorophenyl)ethyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione, (E)-1-(4-fluorophenethyl)-5-(4-hydroxy-3-methoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-[2-(4-Fluoro-phenyl)-ethyl]-5-[1-(4-hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene]-pyrimidine-2,4,6-trione, (5E)-1-[2-(4-fluorophenyl)ethyl]-2-hydroxy-5-(4-hydroxy-3-methoxybenzylidene)pyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C20H17FN2O5 |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 2.2444 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.11215 |
| Heavy Atoms | 28 |
| Complexity | 969.0614 |
Chemical Identifiers
| CAS Number | 1164489-10-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F)O |
Product Overview
(5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid (CAS 1164489-10-4), with molecular formula C20H17FN2O5 and molecular weight 384.11 g/mol. IUPAC: (5E)-1-[2-(4-fluorophenyl)ethyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid
Property Insights of (5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid
The XLogP value of 2.2444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid. Following Lipinski's Rule of Five, (5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid 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-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid?
The CAS number of (5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid is 1164489-10-4.
What is the molecular formula of (5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid?
The molecular formula of (5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid is C20H17FN2O5.
What is the molecular weight of (5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid?
The molecular weight of (5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid is 384.11 g/mol.
Where can I buy (5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid?
You can request a quote for (5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-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)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-[2-(4-fluorophenyl)ethyl]-5-vanillylidene-barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.