2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid
TL;DR: 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid (CAS 155211-06-6) is a chemical compound with molecular formula C8H7N3O4 and molecular weight 209.04366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-cyano-2,4-dioxopyrimidin-1-yl)propanoic acid
Also Known As: 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid, 2-(5-cyano-2,4-dioxopyrimidin-1-yl)propanoic acid, 2-(5-cyano-2,4-dioxo-pyrimidin-1-yl)propanoic Acid, F2185-0378, 2-(5-Cyano-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid
Technical Specifications
| Molecular Formula | C8H7N3O4 |
| Molecular Weight | 209.04366 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.04366 Da |
| Heavy Atoms | 15 |
| Complexity | 417.0 |
| SMILES | CC(C(=O)O)N1C=C(C(=O)NC1=O)C#N |
| InChIKey | BMMCVHACUWBEKW-UHFFFAOYSA-N |
Chemical Property Profile of 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid
Property Insights of 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid
The XLogP value of -0.9 indicates that 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid. Following Lipinski's Rule of Five, 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid has 2 hydrogen bond donor(s) and 5 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-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid?
The CAS number of 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid is 155211-06-6.
What is the molecular formula of 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid?
The molecular formula of 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid is C8H7N3O4.
What is the molecular weight of 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid?
The molecular weight of 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid is 209.04366 g/mol.
Where can I buy 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid?
You can request a quote for 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.