5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, 1-methylethyl ester
TL;DR: 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, 1-methylethyl ester (CAS 111983-62-1) 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.
propan-2-yl 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-, 1-methylethyl ester, Propan-2-yl 4-[2-(difluoromethoxy)phenyl]-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate, propan-2-yl 6-[2-(difluoromethoxy)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate, BRN 5623638
Technical Specifications
| Molecular Formula | C17H20F2N2O4 |
| Molecular Weight | 354.1391 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.1391 Da |
| Heavy Atoms | 25 |
| Complexity | 551.0 |
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC=CC=C2OC(F)F)C(=O)OC(C)C |
| InChIKey | NSUYMLINQCECJQ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, 1-methylethyl ester
Property Insights of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, 1-methylethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, 1-methylethyl ester. 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-, 1-methylethyl ester. Following Lipinski's Rule of Five, 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, 1-methylethyl 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-, 1-methylethyl ester?
The CAS number of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, 1-methylethyl ester is 111983-62-1.
What is the molecular formula of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, 1-methylethyl ester?
The molecular formula of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, 1-methylethyl 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-, 1-methylethyl ester?
The molecular weight of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, 1-methylethyl 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-, 1-methylethyl ester?
You can request a quote for 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-1,6-dimethyl-2-oxo-, 1-methylethyl 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-, 1-methylethyl 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-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.