2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro-
TL;DR: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro- (CAS 19645-77-3) is a chemical compound with molecular formula C4H3ClN2O3 and molecular weight 161.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1,3-diazinane-2,4,6-trione
Also Known As: 5-Chlorobarbituric acid, 5-chloro-1,3-diazinane-2,4,6-trione, 5-chloro-Barbituric acid, Barbituric acid, 5-chloro-, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro-
| Molecular Formula | C4H3ClN2O3 |
|---|---|
| Molecular Weight | 161.98 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.98322 |
| Heavy Atoms | 10 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 19645-77-3 |
|---|---|
| SMILES | C1(C(=O)NC(=O)NC1=O)Cl |
| InChIKey | XDDWKERRJNWQIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro- (CAS 19645-77-3), with molecular formula C4H3ClN2O3 and molecular weight 161.98 g/mol. IUPAC: 5-chloro-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro-
Property Insights of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro-
The XLogP value of -0.6 indicates that 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro-. Following Lipinski's Rule of Five, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro- has 2 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 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro-?
The CAS number of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro- is 19645-77-3.
What is the molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro-?
The molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro- is C4H3ClN2O3.
What is the molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro-?
The molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro- is 161.98 g/mol.
Where can I buy 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro-?
You can request a quote for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.