2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
TL;DR: 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile (CAS 338982-40-4) is a chemical compound with molecular formula C10H5FN4O2 and molecular weight 232.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile
Also Known As: 2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, 0799AE, 2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile, fluorophenyldioxotetrahydrotriazinecarbonitrile, 5K-921
| Molecular Formula | C10H5FN4O2 |
|---|---|
| Molecular Weight | 232.04 g/mol |
| LogP | -0.06842 |
| Topological Polar Surface Area | 91.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.03966 |
| Heavy Atoms | 17 |
| Complexity | 708.81134 |
Chemical Identifiers
| CAS Number | 338982-40-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)NC(=O)C(=N2)C#N)F |
Product Overview
2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile (CAS 338982-40-4), with molecular formula C10H5FN4O2 and molecular weight 232.04 g/mol. IUPAC: 2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile.
Chemical Property Profile of 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
Property Insights of 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
The XLogP value of -0.06842 indicates that 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile has 1 hydrogen bond donor(s) and 4 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 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile?
The CAS number of 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile is 338982-40-4.
What is the molecular formula of 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile?
The molecular formula of 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile is C10H5FN4O2.
What is the molecular weight of 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile?
The molecular weight of 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile is 232.04 g/mol.
Where can I buy 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile?
You can request a quote for 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.