(E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 713089-72-6) is a chemical compound with molecular formula C21H20BrN3O6 and molecular weight 489.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-6-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione
Also Known As: (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-bromophenyl)-5-[[(3,4,5-trimethoxyphenyl)methylamino]methylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-(4-bromophenyl)-5-[[(3,4,5-trimethoxyphenyl)methylamino]methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-1-(4-bromophenyl)-5-[[(3,4,5-trimethoxyphenyl)methylamino]methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-3-(4-bromophenyl)-6-hydroxy-5-{[(3,4,5-trimethoxybenzyl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C21H20BrN3O6 |
|---|---|
| Molecular Weight | 489.05 g/mol |
| LogP | 2.6388 |
| Topological Polar Surface Area | 115.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.05356 |
| Heavy Atoms | 31 |
| Complexity | 1206.3381 |
Chemical Identifiers
| CAS Number | 713089-72-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CN=CC2=C(N(C(=O)NC2=O)C3=CC=C(C=C3)Br)O |
Product Overview
(E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 713089-72-6), with molecular formula C21H20BrN3O6 and molecular weight 489.05 g/mol. IUPAC: 1-(4-bromophenyl)-6-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione.
Chemical Property Profile of (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.6388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 115.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione has 2 hydrogen bond donor(s) and 7 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 (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 713089-72-6.
What is the molecular formula of (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is C21H20BrN3O6.
What is the molecular weight of (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 489.05 g/mol.
Where can I buy (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)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)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-bromophenyl)-5-(((3,4,5-trimethoxybenzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.