2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate
TL;DR: 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate (CAS 2244-11-3) is a chemical compound with molecular formula C4H4N2O5 and molecular weight 160.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diazinane-2,4,5,6-tetrone;hydrate
Also Known As: ALLOXAN MONOHYDRATE, Alloxan hydrate, Mesoxalylurea, Alloxan, monohydrate, Alloxan
| Molecular Formula | C4H4N2O5 |
|---|---|
| Molecular Weight | 160.01 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.01202 |
| Heavy Atoms | 11 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 2244-11-3 |
|---|---|
| SMILES | C1(=O)C(=O)NC(=O)NC1=O.O |
| InChIKey | DSXMTJRUNLATRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate (CAS 2244-11-3), with molecular formula C4H4N2O5 and molecular weight 160.01 g/mol. IUPAC: 1,3-diazinane-2,4,5,6-tetrone;hydrate.
Chemical Property Profile of 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate
Property Insights of 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate
The XLogP value of -2.9 indicates that 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate. Following Lipinski's Rule of Five, 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate has 3 hydrogen bond donor(s) and 5 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 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate?
The CAS number of 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate is 2244-11-3.
What is the molecular formula of 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate?
The molecular formula of 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate is C4H4N2O5.
What is the molecular weight of 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate?
The molecular weight of 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate is 160.01 g/mol.
Where can I buy 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate?
You can request a quote for 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.