5-Bromo-6-chloropyrimidine-2,4-diol
TL;DR: 5-Bromo-6-chloropyrimidine-2,4-diol (CAS 21428-23-9) is a chemical compound with molecular formula C4H2BrClN2O2 and molecular weight 223.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-6-chloro-1H-pyrimidine-2,4-dione
Also Known As: 5-Bromo-6-chloropyrimidine-2,4-diol, 5-Bromo-6-chlorouracil, 5-bromo-6-chloropyrimidine-2,4(1H,3H)-dione, 5-bromo-6-chloro-1H-pyrimidine-2,4-dione, 5-bromo-6-chloro-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C4H2BrClN2O2 |
|---|---|
| Molecular Weight | 223.90 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.89882 |
| Heavy Atoms | 10 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 21428-23-9 |
|---|---|
| SMILES | C1(=C(NC(=O)NC1=O)Cl)Br |
| InChIKey | BHFJCCPUFJLYBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-6-chloropyrimidine-2,4-diol (CAS 21428-23-9), with molecular formula C4H2BrClN2O2 and molecular weight 223.90 g/mol. IUPAC: 5-bromo-6-chloro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-Bromo-6-chloropyrimidine-2,4-diol
Property Insights of 5-Bromo-6-chloropyrimidine-2,4-diol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-6-chloropyrimidine-2,4-diol. With a topological polar surface area (TPSA) of 58.2 Ų, 5-Bromo-6-chloropyrimidine-2,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-6-chloropyrimidine-2,4-diol has 2 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 5-Bromo-6-chloropyrimidine-2,4-diol?
The CAS number of 5-Bromo-6-chloropyrimidine-2,4-diol is 21428-23-9.
What is the molecular formula of 5-Bromo-6-chloropyrimidine-2,4-diol?
The molecular formula of 5-Bromo-6-chloropyrimidine-2,4-diol is C4H2BrClN2O2.
What is the molecular weight of 5-Bromo-6-chloropyrimidine-2,4-diol?
The molecular weight of 5-Bromo-6-chloropyrimidine-2,4-diol is 223.90 g/mol.
Where can I buy 5-Bromo-6-chloropyrimidine-2,4-diol?
You can request a quote for 5-Bromo-6-chloropyrimidine-2,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-6-chloropyrimidine-2,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-6-chloropyrimidine-2,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.