5-Fluoropyrimidin-2-one
TL;DR: 5-Fluoropyrimidin-2-one (CAS 2022-78-8) is a chemical compound with molecular formula C4H3FN2O and molecular weight 114.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-1H-pyrimidin-2-one
Also Known As: 5-fluoropyrimidin-2-ol, 5-Fluoro-2-hydroxypyrimidine, 5-Fluoropyrimidin-2-one, 5-Fluoropyrimidin-2(1H)-one, 2-Hydroxy-5-fluoropyrimidine
| Molecular Formula | C4H3FN2O |
|---|---|
| Molecular Weight | 114.02 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.02294 |
| Heavy Atoms | 8 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 2022-78-8 |
|---|---|
| SMILES | C1=C(C=NC(=O)N1)F |
| InChIKey | HPABFFGQPLJKBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluoropyrimidin-2-one (CAS 2022-78-8), with molecular formula C4H3FN2O and molecular weight 114.02 g/mol. IUPAC: 5-fluoro-1H-pyrimidin-2-one.
Chemical Property Profile of 5-Fluoropyrimidin-2-one
Property Insights of 5-Fluoropyrimidin-2-one
The XLogP value of -0.4 indicates that 5-Fluoropyrimidin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.5 Ų, 5-Fluoropyrimidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoropyrimidin-2-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Fluoropyrimidin-2-one?
The CAS number of 5-Fluoropyrimidin-2-one is 2022-78-8.
What is the molecular formula of 5-Fluoropyrimidin-2-one?
The molecular formula of 5-Fluoropyrimidin-2-one is C4H3FN2O.
What is the molecular weight of 5-Fluoropyrimidin-2-one?
The molecular weight of 5-Fluoropyrimidin-2-one is 114.02 g/mol.
Where can I buy 5-Fluoropyrimidin-2-one?
You can request a quote for 5-Fluoropyrimidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoropyrimidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoropyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.