3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine
TL;DR: 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine (CAS 140187-23-1) is a chemical compound with molecular formula C7H8FN3O4 and molecular weight 217.04988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
Also Known As: fluorowillardiine, 5-Fluorowillardiine, (S)-(-)-5-fluorowillardiine, 2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid, 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)alanine
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8FN3O4 |
| Molecular Weight | 217.04988 g/mol |
| XLogP | -4.4 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.04988 Da |
| Heavy Atoms | 15 |
| Complexity | 354.0 |
| SMILES | C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)F |
| InChIKey | DBWPFHJYSTVBCZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine
Property Insights of 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine
The XLogP value of -4.4 indicates that 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine. Following Lipinski's Rule of Five, 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine has 3 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 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine?
The CAS number of 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine is 140187-23-1.
What is the molecular formula of 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine?
The molecular formula of 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine is C7H8FN3O4.
What is the molecular weight of 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine?
The molecular weight of 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine is 217.04988 g/mol.
Where can I buy 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine?
You can request a quote for 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine?
Yes, CoreyChem provides custom synthesis services for 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.