TL;DR: 6-[(E)-2-(biphenyl-4-yl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione (CAS 1662710-37-3) is a chemical compound with molecular formula C18H13N3O4 and molecular weight 335.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitro-6-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrimidine-2,4-dione
Also Known As: 6-[(E)-2-(biphenyl-4-yl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione, 6-[(E)-2-(biphenyl-4-yl)ethenyl]-5-nitropyrimidine-2,4-diol, 6-[2-(4-biphenylyl)vinyl]-5-nitro-2,4(1H,3H)-pyrimidinedione, 5-nitro-6-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrimidine-2,4-dione, (E)-6-(2-([1,1'-biphenyl]-4-yl)vinyl)-5-nitropyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C18H13N3O4 |
| Molecular Weight | 335.0906 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.0906 Da |
| Heavy Atoms | 25 |
| Complexity | 606.0 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C3=C(C(=O)NC(=O)N3)[N+](=O)[O-] |
| InChIKey | NPYMEAFZOVNAJW-DHZHZOJOSA-N |
The XLogP value of 3.0 indicates that 6-[(E)-2-(biphenyl-4-yl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(E)-2-(biphenyl-4-yl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 6-[(E)-2-(biphenyl-4-yl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-[(E)-2-(biphenyl-4-yl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione is 1662710-37-3.
The molecular formula of 6-[(E)-2-(biphenyl-4-yl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione is C18H13N3O4.
The molecular weight of 6-[(E)-2-(biphenyl-4-yl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione is 335.0906 g/mol.
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