2-Oxohexahydropyrimidine-4-carboxylic acid
TL;DR: 2-Oxohexahydropyrimidine-4-carboxylic acid (CAS 166961-74-6) is a chemical compound with molecular formula C5H8N2O3 and molecular weight 144.0535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-oxo-1,3-diazinane-4-carboxylic acid
Also Known As: 2-oxo-3H-pyrimidine-4-carboxylic acid, 2-Oxohexahydropyrimidine-4-carboxylic acid, 2-oxo-1,3-diazinane-4-carboxylic Acid, (s)-2-oxohexahydropyrimidine-4-carboxylic acid, 4-Pyrimidinecarboxylic acid, hexahydro-2-oxo-
Technical Specifications
| Molecular Formula | C5H8N2O3 |
| Molecular Weight | 144.0535 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.0535 Da |
| Heavy Atoms | 10 |
| Complexity | 168.0 |
| SMILES | C1CNC(=O)NC1C(=O)O |
| InChIKey | QLEDTTCUFILTKL-UHFFFAOYSA-N |
Chemical Property Profile of 2-Oxohexahydropyrimidine-4-carboxylic acid
Property Insights of 2-Oxohexahydropyrimidine-4-carboxylic acid
The XLogP value of -0.9 indicates that 2-Oxohexahydropyrimidine-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxohexahydropyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 2-Oxohexahydropyrimidine-4-carboxylic acid has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Oxohexahydropyrimidine-4-carboxylic acid?
The CAS number of 2-Oxohexahydropyrimidine-4-carboxylic acid is 166961-74-6.
What is the molecular formula of 2-Oxohexahydropyrimidine-4-carboxylic acid?
The molecular formula of 2-Oxohexahydropyrimidine-4-carboxylic acid is C5H8N2O3.
What is the molecular weight of 2-Oxohexahydropyrimidine-4-carboxylic acid?
The molecular weight of 2-Oxohexahydropyrimidine-4-carboxylic acid is 144.0535 g/mol.
Where can I buy 2-Oxohexahydropyrimidine-4-carboxylic acid?
You can request a quote for 2-Oxohexahydropyrimidine-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Oxohexahydropyrimidine-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-Oxohexahydropyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.