(E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 372974-97-5) is a chemical compound with molecular formula C20H15Br2FN2O4 and molecular weight 523.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
Also Known As: (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-[2-(4-fluorophenyl)ethyl]-2-hydroxypyrimidine-4,6(1H,5H)-dione, (5E)-5-(3,5-dibromo-2-methoxybenzylidene)-3-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4(3H,5H)-dione, (5E)-5-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H15Br2FN2O4 |
|---|---|
| Molecular Weight | 523.94 g/mol |
| LogP | 4.0638 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 523.93823 |
| Heavy Atoms | 29 |
| Complexity | 1021.8864 |
Chemical Identifiers
| CAS Number | 372974-97-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Br)Br)/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F |
Product Overview
(E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 372974-97-5), with molecular formula C20H15Br2FN2O4 and molecular weight 523.94 g/mol. IUPAC: (5E)-5-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 4.0638 indicates that (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 372974-97-5.
What is the molecular formula of (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C20H15Br2FN2O4.
What is the molecular weight of (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 523.94 g/mol.
Where can I buy (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3,5-dibromo-2-methoxybenzylidene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.