5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 896674-40-1) is a chemical compound with molecular formula C26H24BrN3O5 and molecular weight 537.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-bromoanilino)methyl]-5-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(4-bromoanilino)methyl]-5-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione, 5-{[(4-bromophenyl)amino]methyl}-5-(3,4-dimethoxybenzyl)-2-hydroxy-1-phenylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C26H24BrN3O5 |
|---|---|
| Molecular Weight | 537.09 g/mol |
| LogP | 4.3903 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 537.0899 |
| Heavy Atoms | 35 |
| Complexity | 1249.6019 |
Chemical Identifiers
| CAS Number | 896674-40-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2(C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)CNC4=CC=C(C=C4)Br)OC |
Product Overview
5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 896674-40-1), with molecular formula C26H24BrN3O5 and molecular weight 537.09 g/mol. IUPAC: 5-[(4-bromoanilino)methyl]-5-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 4.3903 indicates that 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione is 896674-40-1.
What is the molecular formula of 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione is C26H24BrN3O5.
What is the molecular weight of 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione is 537.09 g/mol.
Where can I buy 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-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 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((4-bromophenyl)amino)methyl)-5-(3,4-dimethoxybenzyl)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.