5-Fluoro-4(3H)-pyrimidinone
TL;DR: 5-Fluoro-4(3H)-pyrimidinone (CAS 671-35-2) 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-6-one
Also Known As: 5-Fluoro-4-hydroxypyrimidine, Fluoxydine, Fluoxidine, 5-fluoropyrimidin-4-ol, 5-fluoro-1H-pyrimidin-6-one
| 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 | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.02294 |
| Heavy Atoms | 8 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 671-35-2 |
|---|---|
| SMILES | C1=C(C(=O)NC=N1)F |
| InChIKey | NBAHQCCWEKHGTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluoro-4(3H)-pyrimidinone (CAS 671-35-2), with molecular formula C4H3FN2O and molecular weight 114.02 g/mol. IUPAC: 5-fluoro-1H-pyrimidin-6-one.
Chemical Property Profile of 5-Fluoro-4(3H)-pyrimidinone
Property Insights of 5-Fluoro-4(3H)-pyrimidinone
The XLogP value of -0.4 indicates that 5-Fluoro-4(3H)-pyrimidinone 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-Fluoro-4(3H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoro-4(3H)-pyrimidinone has 1 hydrogen bond donor(s) and 3 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-Fluoro-4(3H)-pyrimidinone?
The CAS number of 5-Fluoro-4(3H)-pyrimidinone is 671-35-2.
What is the molecular formula of 5-Fluoro-4(3H)-pyrimidinone?
The molecular formula of 5-Fluoro-4(3H)-pyrimidinone is C4H3FN2O.
What is the molecular weight of 5-Fluoro-4(3H)-pyrimidinone?
The molecular weight of 5-Fluoro-4(3H)-pyrimidinone is 114.02 g/mol.
Where can I buy 5-Fluoro-4(3H)-pyrimidinone?
You can request a quote for 5-Fluoro-4(3H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoro-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.