5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester
TL;DR: 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester (CAS 118201-39-1) is a chemical compound with molecular formula C14H14F2N2O3S and molecular weight 328.0693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[2-(difluoromethylsulfanyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester, 2-Oxo-4-(2'-difluoromethylthiophenyl)-5-methoxycarbonyl-6-methyl-1,2,3,4-tetrahydropyrimidine, 5-Pyrimidinecarboxylicacid, 4-[2-[(difluoromethyl)thio]phenyl]-1,2,3,4-tetrahydro-6-methyl-2-oxo-,methyl ester, Methyl 4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-[2-(difluoromethylsulfanyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Technical Specifications
| Molecular Formula | C14H14F2N2O3S |
| Molecular Weight | 328.0693 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.0693 Da |
| Heavy Atoms | 22 |
| Complexity | 485.0 |
| SMILES | CC1=C(C(NC(=O)N1)C2=CC=CC=C2SC(F)F)C(=O)OC |
| InChIKey | MTBJOORKGGSVKR-UHFFFAOYSA-N |
Chemical Property Profile of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester
Property Insights of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester. Following Lipinski's Rule of Five, 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester has 2 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-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester?
The CAS number of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester is 118201-39-1.
What is the molecular formula of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester?
The molecular formula of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester is C14H14F2N2O3S.
What is the molecular weight of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester?
The molecular weight of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester is 328.0693 g/mol.
Where can I buy 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester?
You can request a quote for 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl 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-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.