4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
TL;DR: 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one (CAS 145397-25-7) is a chemical compound with molecular formula C8H10FN3O4 and molecular weight 231.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Also Known As: D-DOFC, (+)-5F-Dioxolane-C, (+)-beta-D-FDOC, (+)-FDOC, D-FDOC
| Molecular Formula | C8H10FN3O4 |
|---|---|
| Molecular Weight | 231.07 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.06554 |
| Heavy Atoms | 16 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 145397-25-7 |
|---|---|
| SMILES | C1[C@@H](O[C@@H](O1)CO)N2C=C(C(=NC2=O)N)F |
| InChIKey | RJKXXGNCKMQXTH-PHDIDXHHSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one (CAS 145397-25-7), with molecular formula C8H10FN3O4 and molecular weight 231.07 g/mol. IUPAC: 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one.
Chemical Property Profile of 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Property Insights of 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
The XLogP value of -1.9 indicates that 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one. Following Lipinski's Rule of Five, 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one 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
Frequently Asked Questions
What is the CAS number of 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one?
The CAS number of 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one is 145397-25-7.
What is the molecular formula of 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one?
The molecular formula of 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one is C8H10FN3O4.
What is the molecular weight of 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one?
The molecular weight of 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one is 231.07 g/mol.
Where can I buy 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one?
You can request a quote for 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.