氟胞嘧啶
TL;DR: 氟胞嘧啶 (CAS 2022-85-7) is a chemical compound with molecular formula C4H4FN3O and molecular weight 129.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟胞嘧啶
6-amino-5-fluoro-1H-pyrimidin-2-one
Also Known As: 5-Fluorocytosine, flucytosine, Fluorocytosine, Ancobon, Ancotil
| Molecular Formula | C4H4FN3O |
|---|---|
| Molecular Weight | 129.03 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.03384 |
| Heavy Atoms | 9 |
| Complexity | 208.0 |
| Melting Point | 296 |
| Solubility | 15000 |
Chemical Identifiers
| CAS Number | 2022-85-7 |
|---|---|
| SMILES | C1=NC(=O)NC(=C1F)N |
| InChIKey | XRECTZIEBJDKEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟胞嘧啶 (CAS 2022-85-7), with molecular formula C4H4FN3O and molecular weight 129.03 g/mol. IUPAC: 6-amino-5-fluoro-1H-pyrimidin-2-one.
Chemical Property Profile of 氟胞嘧啶
Property Insights of 氟胞嘧啶
The XLogP value of -0.9 indicates that 氟胞嘧啶 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 氟胞嘧啶. Following Lipinski's Rule of Five, 氟胞嘧啶 has 2 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 氟胞嘧啶?
The CAS number of 氟胞嘧啶 is 2022-85-7.
What is the molecular formula of 氟胞嘧啶?
The molecular formula of 氟胞嘧啶 is C4H4FN3O.
What is the molecular weight of 氟胞嘧啶?
The molecular weight of 氟胞嘧啶 is 129.03 g/mol.
Where can I buy 氟胞嘧啶?
You can request a quote for 氟胞嘧啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟胞嘧啶?
Yes, KEHONG BIO provides custom synthesis services for 氟胞嘧啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.