5-Fluorodihydroorotate
TL;DR: 5-Fluorodihydroorotate (CAS 5419-54-5) is a chemical compound with molecular formula C5H5FN2O4 and molecular weight 176.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-2,6-dioxo-1,3-diazinane-4-carboxylic acid
Also Known As: t-Fdho, 5-Fluorodihydroorotate, 5-Fluorodihydrooorotate, 4-Pyrimidinecarboxylic acid, 5-fluorohexahydro-2,6-dioxo-, 5-fluoro-2,6-dioxo-1,3-diazinane-4-carboxylic acid
| Molecular Formula | C5H5FN2O4 |
|---|---|
| Molecular Weight | 176.02 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.02333 |
| Heavy Atoms | 12 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 5419-54-5 |
|---|---|
| SMILES | C1(C(NC(=O)NC1=O)C(=O)O)F |
| InChIKey | KYPUTJBHYWWLKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluorodihydroorotate (CAS 5419-54-5), with molecular formula C5H5FN2O4 and molecular weight 176.02 g/mol. IUPAC: 5-fluoro-2,6-dioxo-1,3-diazinane-4-carboxylic acid.
Chemical Property Profile of 5-Fluorodihydroorotate
Property Insights of 5-Fluorodihydroorotate
The XLogP value of -1.0 indicates that 5-Fluorodihydroorotate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Fluorodihydroorotate. Following Lipinski's Rule of Five, 5-Fluorodihydroorotate has 3 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 5-Fluorodihydroorotate?
The CAS number of 5-Fluorodihydroorotate is 5419-54-5.
What is the molecular formula of 5-Fluorodihydroorotate?
The molecular formula of 5-Fluorodihydroorotate is C5H5FN2O4.
What is the molecular weight of 5-Fluorodihydroorotate?
The molecular weight of 5-Fluorodihydroorotate is 176.02 g/mol.
Where can I buy 5-Fluorodihydroorotate?
You can request a quote for 5-Fluorodihydroorotate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluorodihydroorotate?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluorodihydroorotate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.