四氧嘧啶
TL;DR: 四氧嘧啶 (CAS 50-71-5) is a chemical compound with molecular formula C4H2N2O4 and molecular weight 142.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氧嘧啶
1,3-diazinane-2,4,5,6-tetrone
Also Known As: Alloxan, Mesoxalylurea, Mesoxalylcarbamide, Pyrimidinetetrone, ALLOXANE
| Molecular Formula | C4H2N2O4 |
|---|---|
| Molecular Weight | 142.00 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.00145 |
| Heavy Atoms | 10 |
| Complexity | 222.0 |
| Melting Point | 256 °C (decomposes) |
| Boiling Point | Sublimes |
| Density | 1.07 |
| Solubility | Sol in benzene |
Chemical Identifiers
| CAS Number | 50-71-5 |
|---|---|
| SMILES | C1(=O)C(=O)NC(=O)NC1=O |
| InChIKey | HIMXGTXNXJYFGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四氧嘧啶 (CAS 50-71-5), with molecular formula C4H2N2O4 and molecular weight 142.00 g/mol. IUPAC: 1,3-diazinane-2,4,5,6-tetrone.
Chemical Property Profile of 四氧嘧啶
Property Insights of 四氧嘧啶
The XLogP value of -1.0 indicates that 四氧嘧啶 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 四氧嘧啶. Following Lipinski's Rule of Five, 四氧嘧啶 has 2 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 四氧嘧啶?
The CAS number of 四氧嘧啶 is 50-71-5.
What is the molecular formula of 四氧嘧啶?
The molecular formula of 四氧嘧啶 is C4H2N2O4.
What is the molecular weight of 四氧嘧啶?
The molecular weight of 四氧嘧啶 is 142.00 g/mol.
Where can I buy 四氧嘧啶?
You can request a quote for 四氧嘧啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四氧嘧啶?
Yes, KEHONG BIO provides custom synthesis services for 四氧嘧啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.