5-Hydroperoxymethyluracil
TL;DR: 5-Hydroperoxymethyluracil (CAS 33499-50-2) is a chemical compound with molecular formula C5H6N2O4 and molecular weight 158.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(hydroperoxymethyl)-1H-pyrimidine-2,4-dione
Also Known As: alpha-Tooh, 5-Hydroperoxymethyluracil, thymine hydroperoxide, Uracil, 5-hydroperoxymethyl-, Uracil,5-hydroperoxymethyl
| Molecular Formula | C5H6N2O4 |
|---|---|
| Molecular Weight | 158.03 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.03276 |
| Heavy Atoms | 11 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 33499-50-2 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)COO |
| InChIKey | MXVRXIGBAGNOJF-UHFFFAOYSA-N |
Product Overview
5-Hydroperoxymethyluracil (CAS 33499-50-2), with molecular formula C5H6N2O4 and molecular weight 158.03 g/mol. IUPAC: 5-(hydroperoxymethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-Hydroperoxymethyluracil
Property Insights of 5-Hydroperoxymethyluracil
The XLogP value of -2.4 indicates that 5-Hydroperoxymethyluracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroperoxymethyluracil. Following Lipinski's Rule of Five, 5-Hydroperoxymethyluracil has 3 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 5-Hydroperoxymethyluracil?
The CAS number of 5-Hydroperoxymethyluracil is 33499-50-2.
What is the molecular formula of 5-Hydroperoxymethyluracil?
The molecular formula of 5-Hydroperoxymethyluracil is C5H6N2O4.
What is the molecular weight of 5-Hydroperoxymethyluracil?
The molecular weight of 5-Hydroperoxymethyluracil is 158.03 g/mol.
Where can I buy 5-Hydroperoxymethyluracil?
You can request a quote for 5-Hydroperoxymethyluracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroperoxymethyluracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroperoxymethyluracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.