1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
TL;DR: 1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS 57712-67-1) is a chemical compound with molecular formula C11H9BrN2O2 and molecular weight 279.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-bromopyrimidine-2,4-dione
Also Known As: 1-benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione, 1-benzyl-5-bromouracil, 1-benzyl-5-bromopyrimidine-2,4-dione, 1-Benzyl-5-bromo-1H-pyrimidine-2,4-dione, 1-benzyl-5-bromo-pyrimidine-2,4-dione
| Molecular Formula | C11H9BrN2O2 |
|---|---|
| Molecular Weight | 279.98 g/mol |
| LogP | 1.3474 |
| Topological Polar Surface Area | 54.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.98474 |
| Heavy Atoms | 16 |
| Complexity | 601.3719 |
Chemical Identifiers
| CAS Number | 57712-67-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)Br |
Product Overview
1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS 57712-67-1), with molecular formula C11H9BrN2O2 and molecular weight 279.98 g/mol. IUPAC: 1-benzyl-5-bromopyrimidine-2,4-dione.
Chemical Property Profile of 1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
Property Insights of 1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
The XLogP value of 1.3474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione. With a topological polar surface area (TPSA) of 54.86 Ų, 1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione has 1 hydrogen bond donor(s) and 2 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-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione?
The CAS number of 1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione is 57712-67-1.
What is the molecular formula of 1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione?
The molecular formula of 1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione is C11H9BrN2O2.
What is the molecular weight of 1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione?
The molecular weight of 1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione is 279.98 g/mol.
Where can I buy 1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione?
You can request a quote for 1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione 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-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.