TL;DR: RefChem:304835 (CAS 112024-97-2) is a chemical compound with molecular formula C15H16F2N2O4 and molecular weight 326.10782 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 01912075, 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-2-oxo-,ethyl ester, ethyl 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, Ethyl 6-[2-(difluoromethoxy)phenyl]-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate, BRN 5613602
| Molecular Formula | C15H16F2N2O4 |
| Molecular Weight | 326.10782 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.10782 Da |
| Heavy Atoms | 23 |
| Complexity | 496.0 |
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2OC(F)F)C |
| InChIKey | RJEWIVNHUVUIRA-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:304835. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:304835. Following Lipinski's Rule of Five, RefChem:304835 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:304835 is 112024-97-2.
The molecular formula of RefChem:304835 is C15H16F2N2O4.
The molecular weight of RefChem:304835 is 326.10782 g/mol.
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