TL;DR: 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-((4-propoxyphenyl)sulfonyl)- (CAS 105411-93-6) is a chemical compound with molecular formula C13H13BrN2O5S and molecular weight 387.97287 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-1-(4-propoxyphenyl)sulfonylpyrimidine-2,4-dione
Also Known As: 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-((4-propoxyphenyl)sulfonyl)-, 5-bromo-1-(4-propoxyphenyl)sulfonylpyrimidine-2,4-dione, 5-Bromo-1-((4-propoxyphenyl)sulfonyl)-2,4(1H,3H)-pyrimidinedione, 5-bromo-1-(4-propoxyphenyl)sulfonyl-pyrimidine-2,4-dione, 5-bromo-1-[(4-propoxyphenyl)sulfonyl]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C13H13BrN2O5S |
| Molecular Weight | 387.97287 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.97287 Da |
| Heavy Atoms | 22 |
| Complexity | 576.0 |
| SMILES | CCCOC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)Br |
| InChIKey | KDYGQGXSXKSUEN-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-((4-propoxyphenyl)sulfonyl)-. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-((4-propoxyphenyl)sulfonyl)-. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-((4-propoxyphenyl)sulfonyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-((4-propoxyphenyl)sulfonyl)- is 105411-93-6.
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-((4-propoxyphenyl)sulfonyl)- is C13H13BrN2O5S.
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-((4-propoxyphenyl)sulfonyl)- is 387.97287 g/mol.
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