5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione
TL;DR: 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione (CAS 1820-76-4) is a chemical compound with molecular formula C4H4BrFN2O3 and molecular weight 225.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione
Also Known As: 5-bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione, 5-bromo-5-fluoro-6-hydroxy-5,6-dihydrouracil
| Molecular Formula | C4H4BrFN2O3 |
|---|---|
| Molecular Weight | 225.94 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.93893 |
| Heavy Atoms | 11 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 1820-76-4 |
|---|---|
| SMILES | C1(C(C(=O)NC(=O)N1)(F)Br)O |
| InChIKey | QINMMEBYOSRGQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione (CAS 1820-76-4), with molecular formula C4H4BrFN2O3 and molecular weight 225.94 g/mol. IUPAC: 5-bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione.
Chemical Property Profile of 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione
Property Insights of 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione
The XLogP value of -0.5 indicates that 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione. Following Lipinski's Rule of Five, 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione has 3 hydrogen bond donor(s) and 4 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 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione?
The CAS number of 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione is 1820-76-4.
What is the molecular formula of 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione?
The molecular formula of 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione is C4H4BrFN2O3.
What is the molecular weight of 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione?
The molecular weight of 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione is 225.94 g/mol.
Where can I buy 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione?
You can request a quote for 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-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 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.