Alloxan monohydrate
TL;DR: Alloxan monohydrate (CAS 2217-02-9) 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.
5,5-dihydroxy-1,3-diazinane-2,4,6-trione
Also Known As: ALLOXAN MONOHYDRATE, Alloxan hydrate, Alloxan, alloxanmonohydrat, alloxane monohydrate
| Molecular Formula | C4H4N2O5 |
|---|---|
| Molecular Weight | 160.01 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.01202 |
| Heavy Atoms | 11 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 2217-02-9 |
|---|---|
| SMILES | C1(=O)C(C(=O)NC(=O)N1)(O)O |
| InChIKey | ZIIHZVKHFWOENY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alloxan monohydrate (CAS 2217-02-9), with molecular formula C4H4N2O5 and molecular weight 160.01 g/mol. IUPAC: 5,5-dihydroxy-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Alloxan monohydrate
Property Insights of Alloxan monohydrate
The XLogP value of -2.5 indicates that Alloxan monohydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alloxan monohydrate. Following Lipinski's Rule of Five, Alloxan monohydrate has 4 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 Alloxan monohydrate?
The CAS number of Alloxan monohydrate is 2217-02-9.
What is the molecular formula of Alloxan monohydrate?
The molecular formula of Alloxan monohydrate is C4H4N2O5.
What is the molecular weight of Alloxan monohydrate?
The molecular weight of Alloxan monohydrate is 160.01 g/mol.
Where can I buy Alloxan monohydrate?
You can request a quote for Alloxan monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alloxan monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Alloxan monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.