TL;DR: Uracil, 3-(4-butoxy-3-chlorobenzyl)-5-fluoro- (CAS 102613-18-3) is a chemical compound with molecular formula C15H16ClFN2O3 and molecular weight 326.08334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-butoxy-3-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
Also Known As: 3-(3-Chloro-4-butoxybenzyl)-5-fluorouracil, Uracil, 3-(4-butoxy-3-chlorobenzyl)-5-fluoro-, 3-(4-Butoxy-3-chlorobenzyl)-5-fluorouracil, 2,4(1H,3H)-Pyrimidinedione,3-[(4-butoxy-3-chlorophenyl)methyl]-5-fluoro-, 3-[(4-butoxy-3-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
| Molecular Formula | C15H16ClFN2O3 |
| Molecular Weight | 326.08334 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.08334 Da |
| Heavy Atoms | 22 |
| Complexity | 458.0 |
| SMILES | CCCCOC1=C(C=C(C=C1)CN2C(=O)C(=CNC2=O)F)Cl |
| InChIKey | GJGKTZHGBJGHBY-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Uracil, 3-(4-butoxy-3-chlorobenzyl)-5-fluoro-. With a topological polar surface area (TPSA) of 58.6 Ų, Uracil, 3-(4-butoxy-3-chlorobenzyl)-5-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Uracil, 3-(4-butoxy-3-chlorobenzyl)-5-fluoro- has 1 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 Uracil, 3-(4-butoxy-3-chlorobenzyl)-5-fluoro- is 102613-18-3.
The molecular formula of Uracil, 3-(4-butoxy-3-chlorobenzyl)-5-fluoro- is C15H16ClFN2O3.
The molecular weight of Uracil, 3-(4-butoxy-3-chlorobenzyl)-5-fluoro- is 326.08334 g/mol.
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