5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester
TL;DR: 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester (CAS 121112-77-4) is a chemical compound with molecular formula C17H20F2N2O4 and molecular weight 354.1391 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl 6-[2-(difluoromethoxy)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester, Propyl 4-[2-(difluoromethoxy)phenyl]-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate, Propyl 4-[2-(difluoromethoxy)phenyl]-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate, propyl 6-[2-(difluoromethoxy)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Technical Specifications
| Molecular Formula | C17H20F2N2O4 |
| Molecular Weight | 354.1391 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.1391 Da |
| Heavy Atoms | 25 |
| Complexity | 539.0 |
| SMILES | CCCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OC(F)F)C)C |
| InChIKey | WASRGYNYDNVCPT-UHFFFAOYSA-N |
Chemical Property Profile of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester
Property Insights of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester
The XLogP value of 3.0 indicates that 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester. Following Lipinski's Rule of Five, 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester?
The CAS number of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester is 121112-77-4.
What is the molecular formula of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester?
The molecular formula of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester is C17H20F2N2O4.
What is the molecular weight of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester?
The molecular weight of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester is 354.1391 g/mol.
Where can I buy 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester?
You can request a quote for 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester?
Yes, CoreyChem provides custom synthesis services for 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.