TL;DR: 1,3-bis(3-dimethoxyphosphorylpropyl)-6-methylpyrimidine-2,4-dione (CAS 130366-46-0) is a chemical compound with molecular formula C15H28N2O8P2 and molecular weight 426.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(3-dimethoxyphosphorylpropyl)-6-methylpyrimidine-2,4-dione
Also Known As: 1,3-bis(3-dimethoxyphosphorylpropyl)-6-methylpyrimidine-2,4-dione, 1,3-bis(3-dimethoxyphosphorylpropyl)-6-methyl-pyrimidine-2,4-dione, 1,3-di(3-dimethoxyphosphorylpropyl)-6-methyluracil, Phosphonic acid, ((6-methyl-2,4-dioxo-1,3(2H,4H)-pyrimidinediyl)bis(3,1-propanediyl))bis-, tetramethyl ester, 2-Iminobenzothiazolyl-3-acetohydrazide dihydrochloride
| Molecular Formula | C15H28N2O8P2 |
| Molecular Weight | 426.13208 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 426.13208 Da |
| Heavy Atoms | 27 |
| Complexity | 650.0 |
| SMILES | CC1=CC(=O)N(C(=O)N1CCCP(=O)(OC)OC)CCCP(=O)(OC)OC |
| InChIKey | PACHKEDACMOCOI-UHFFFAOYSA-N |
The XLogP value of -1.0 indicates that 1,3-bis(3-dimethoxyphosphorylpropyl)-6-methylpyrimidine-2,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-bis(3-dimethoxyphosphorylpropyl)-6-methylpyrimidine-2,4-dione. Following Lipinski's Rule of Five, 1,3-bis(3-dimethoxyphosphorylpropyl)-6-methylpyrimidine-2,4-dione has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-bis(3-dimethoxyphosphorylpropyl)-6-methylpyrimidine-2,4-dione is 130366-46-0.
The molecular formula of 1,3-bis(3-dimethoxyphosphorylpropyl)-6-methylpyrimidine-2,4-dione is C15H28N2O8P2.
The molecular weight of 1,3-bis(3-dimethoxyphosphorylpropyl)-6-methylpyrimidine-2,4-dione is 426.13208 g/mol.
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