2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt
TL;DR: 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt (CAS 122916-40-9) is a chemical compound with molecular formula C5H5N2Na2O5PS and molecular weight 281.94522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;5-(phosphonatosulfanylmethyl)-1H-pyrimidine-2,4-dione
Also Known As: 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt, Disodium 5-(phosphonatosulfanylmethyl)-1H-pyrimidine-2,4-dione, disodium S-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl] phosphorothioate
Technical Specifications
| Molecular Formula | C5H5N2Na2O5PS |
| Molecular Weight | 281.94522 g/mol |
| XLogP | -7.8669 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.94522 Da |
| Heavy Atoms | 16 |
| Complexity | 337.0 |
| SMILES | C1=C(C(=O)NC(=O)N1)CSP(=O)([O-])[O-].[Na+].[Na+] |
| InChIKey | AECGLEBMOBFASB-UHFFFAOYSA-L |
Chemical Property Profile of 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt
Property Insights of 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt
The XLogP value of -7.8669 indicates that 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt?
The CAS number of 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt is 122916-40-9.
What is the molecular formula of 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt?
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt is C5H5N2Na2O5PS.
What is the molecular weight of 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt?
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt is 281.94522 g/mol.
Where can I buy 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt?
You can request a quote for 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt?
Yes, CoreyChem provides custom synthesis services for 2,4(1H,3H)-Pyrimidinedione, 5-((phosphonothio)methyl)-, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.