2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide
TL;DR: 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide (CAS 148333-39-5) 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.
3-hydroperoxy-5-methyl-1H-pyrimidine-2,4-dione
Also Known As: Thyminehydroperoxide, 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide, 5-Methyl-2,4(1H,3H)-pyrimidinedione hydroperoxide, 3-hydroperoxy-5-methylpyrimidine-2,4(1h,3h)-dione, 3-hydroperoxy-5-methyl-1H-pyrimidine-2,4-dione
| Molecular Formula | C5H6N2O4 |
|---|---|
| Molecular Weight | 158.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.03276 |
| Heavy Atoms | 11 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 148333-39-5 |
|---|---|
| SMILES | CC1=CNC(=O)N(C1=O)OO |
| InChIKey | QMBMXQUMVMFUOL-UHFFFAOYSA-N |
Product Overview
2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide (CAS 148333-39-5), with molecular formula C5H6N2O4 and molecular weight 158.03 g/mol. IUPAC: 3-hydroperoxy-5-methyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide
Property Insights of 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide
The XLogP value of -0.3 indicates that 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide 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 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide?
The CAS number of 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide is 148333-39-5.
What is the molecular formula of 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide?
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide is C5H6N2O4.
What is the molecular weight of 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide?
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide is 158.03 g/mol.
Where can I buy 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide?
You can request a quote for 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide?
Yes, KEHONG BIO provides custom synthesis services for 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, hydroperoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.