TL;DR: Uracil, 3-(3-chloro-4-propoxybenzyl)-5-fluoro- (CAS 102613-24-1) is a chemical compound with molecular formula C14H14ClFN2O3 and molecular weight 312.0677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3-chloro-4-propoxyphenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
Also Known As: 3-(3-Chloro-4-propoxybenzyl)-5-fluorouracil, Uracil, 3-(3-chloro-4-propoxybenzyl)-5-fluoro-, 3-[(3-chloro-4-propoxyphenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione,3-[(3-chloro-4-propoxyphenyl)methyl]-5-fluoro-, 3-[(3-Chloro-4-propoxyphenyl)methyl]-5-fluoropyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C14H14ClFN2O3 |
| Molecular Weight | 312.0677 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.0677 Da |
| Heavy Atoms | 21 |
| Complexity | 444.0 |
| SMILES | CCCOC1=C(C=C(C=C1)CN2C(=O)C(=CNC2=O)F)Cl |
| InChIKey | IPZPUJKIVNIMRD-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Uracil, 3-(3-chloro-4-propoxybenzyl)-5-fluoro-. With a topological polar surface area (TPSA) of 58.6 Ų, Uracil, 3-(3-chloro-4-propoxybenzyl)-5-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Uracil, 3-(3-chloro-4-propoxybenzyl)-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-(3-chloro-4-propoxybenzyl)-5-fluoro- is 102613-24-1.
The molecular formula of Uracil, 3-(3-chloro-4-propoxybenzyl)-5-fluoro- is C14H14ClFN2O3.
The molecular weight of Uracil, 3-(3-chloro-4-propoxybenzyl)-5-fluoro- is 312.0677 g/mol.
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