1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 343346-76-9) is a chemical compound with molecular formula C11H8Br2N2O3 and molecular weight 373.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5,5-dibromo-1,3-diazinane-2,4,6-trione
Also Known As: 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione, 1-benzyl-5,5-dibromo-1,3-diazinane-2,4,6-trione, AB-323/13887057
| Molecular Formula | C11H8Br2N2O3 |
|---|---|
| Molecular Weight | 373.89 g/mol |
| LogP | 1.7511 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.89017 |
| Heavy Atoms | 18 |
| Complexity | 516.2794 |
Chemical Identifiers
| CAS Number | 343346-76-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C(C(=O)NC2=O)(Br)Br |
Product Overview
1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 343346-76-9), with molecular formula C11H8Br2N2O3 and molecular weight 373.89 g/mol. IUPAC: 1-benzyl-5,5-dibromo-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 1.7511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione has 1 hydrogen bond donor(s) and 3 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 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione is 343346-76-9.
What is the molecular formula of 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione is C11H8Br2N2O3.
What is the molecular weight of 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione is 373.89 g/mol.
Where can I buy 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 1-benzyl-5,5-dibromo-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 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5,5-dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.