![5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione structure](/static/products/425/425419-94-9.png)
5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 425419-94-9) is a chemical compound with molecular formula C20H16BrClN2O7 and molecular weight 509.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H16BrClN2O7 |
|---|---|
| Molecular Weight | 509.98 g/mol |
| LogP | 3.5003 |
| Topological Polar Surface Area | 114.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.98294 |
| Heavy Atoms | 31 |
| Complexity | 1132.9968 |
Chemical Identifiers
| CAS Number | 425419-94-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1N2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)OC)C(=O)NC2=O)OC)Cl |
Product Overview
5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 425419-94-9), with molecular formula C20H16BrClN2O7 and molecular weight 509.98 g/mol. IUPAC: 5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 3.5003 indicates that 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 425419-94-9.
What is the molecular formula of 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is C20H16BrClN2O7.
What is the molecular weight of 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 509.98 g/mol.
Where can I buy 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.